Abstract: A method and corresponding system identify missing interactions in incompletely known datasets represented as complex networks. The method identifies missing connections in a complex network. The method accesses an electronic representation of the network. The network includes nodes and links, the nodes represent entities, and the links represent interactions between the entities. For each pair of nodes not directly connected by a link, the method determines a number of paths connecting the pair of nodes and calculates a prediction score for the pair of nodes based on the number of paths connecting the pair of nodes. The method ranks the pairs of nodes based on the prediction scores, resulting in an ordered list of node pairs, and selects at least a subset of the pairs of nodes based on the ordered list of node pairs. The selected pairs of nodes represent missing connections in the network.

Abstract: Systems and methods for acquiring photoplethysmographic (PPG) signals for measuring blood pressure can include a computing device acquiring a sequence of images representing transdermal optical data of a subject, and generating a corresponding sequence of downsampled color frames. The computing device can identify, in each downsampled color frame, a respective central image block representing a central image region of the downsampled color frame and having a first size smaller than a second size of the downsampled color frame. The computing device can generate, for each downsampled color frame, a corresponding color intensity value based on the respective central image block. The computing device can generate, using color intensity values corresponding to the sequence of downsampled color frames, a PPG signal to determine a blood pressure value of the subject.

Abstract: The present invention provides methods, systems, computer program products that use deep learning with neural networks to denoise ATAC-seq datasets. The methods, systems, and programs provide for increased efficiency, accuracy, and speed in identifying genomic sites of chromatin accessibility in a wide range of tissue and cell types.

Abstract: A method for titrating a stimulation parameter for one or more electrode contacts in a system for stimulating a hypoglossal nerve of a patient includes activating one of the one or more electrode contacts to stimulate the hypoglossal nerve of the patient, obtaining a first and/or second physiological measurement from the patient, comparing the first and/or second physiological measurement to a first and/or second predetermined target value, adjusting a stimulation parameter for the one of the one or more electrode contacts if the first and/or second physiological measurement differs from the first and/or second predetermined target value.

Abstract: A method for quantifying the sensibility of a test microorganism to a concentration of an antimicrobial agent includes: preparing two liquid samples including the microorganism, one having the antimicrobial agent and one without; for each sample acquiring, by a flow cytometer, a digital set values including a fluorescence, forward, or side scatter distribution, and computing: a first coordinate value corresponding to the acquired distribution main mode and an acquired distribution first area for values greater than the first coordinate value, and a second coordinate value, greater than the first, for which an acquired distribution second area between the values equals a first area predefined percentage over 50%; computing a ratio according to: Q = QT ? ( ATB ) - Mode ? ( ATB ) QT ? ( no ? ? ATB ) - Mode ? ( no ? ? ATB ) where Mode(ATB) and QT(ATB) are the first and second coordinate values with the antimicrobial agent concentration, and Mode(no ATB) and QT(no ATB) are r

Abstract: The present disclosure relates to a polypeptide including an Fc-gamma receptor mutant. The Fc-gamma receptor mutant of the present disclosure is optimized by substituting a part of an amino acid sequence of an Fc-gamma receptor with a different amino acid sequence, so as to provide an excellent selective binding ability to immunoglobulins. Therefore, it can be usefully used for increasing in vivo half-life of drugs, detecting and purifying immunoglobulins, inhibiting organ transplant rejections, or preventing or treating autoimmune diseases.

Abstract: A model-assisted system for predicting survivability of a patient may include at least one processor. The processor may be programmed to access a database storing a medical record for the patient. The medical record may include at least one of structured and unstructured information relative to the patient and may lack a structured patient ECOG score. The processor may be further programmed to analyze at least one of the structured and unstructured information relative to the patient; based on the analysis, and in the absence of a structured ECOG score, generate a performance status prediction for the patient; and provide an output indicative of the predicted performance status. The analysis of at least one of the structured and unstructured information and the generation of the predicted performance status may be performed by at least one of a trained machine learning model or a natural language processing algorithm.

Abstract: A bioinformatics process which provides an improved means to detect a JAK-STAT1/2 cellular signaling pathway in a subject, such as a human, based on the expression levels of at least three unique target genes of the JAK-STAT1/2 cellular signaling pathway measured in a sample. The invention includes an apparatus comprising a digital processor configured to perform such a method, a non-transitory storage medium storing instructions that are executable by a digital processing device to perform such a method, and a computer program comprising program code means for causing a digital processing device to perform such a method. Kits are also provided for measuring expression levels of unique sets of JAK-STAT1/2 cellular signaling pathway target genes.

Abstract: The invention is directed to a composition comprising a green tea flower extract and methods for making and using the composition in the management of a healthy body weight. The composition can comprise an aqueous alcohol extract of Camellia sinensis that is administered to a patient to provide a method for maintaining a healthy body weight.

Abstract: Methods for selecting a cancer patient for immunotherapy comprise establishing a total passenger gene mutation burden from a tumor of a cancer patient, generating a background distribution for the mutational burden of the tumor, normalizing the total passenger gene mutation burden against the background distribution, and categorizing the cancer patient as an immunotherapy responder when the total passenger gene mutation burden is greater than the mean of the background distribution. When the cancer patient is an immunotherapy responder, the patient may be administered an immunotherapy regimen that comprises activation/inhibition of T cell receptors that promote T cell activation and/or prolong immune cytolytic activities.

Abstract: Exemplary methods for use in identifying crosses for use in plant breeding are disclosed. One exemplary method includes selecting a subgroup of potential crosses, based on thresholds associated with population prediction scores for the set of potential crosses. The exemplary method further includes selecting multiple target crosses from the subgroup of potential crosses based on a genetic relatedness of the parents in the subgroup of potential crosses, filtering the target crosses based on a rule (or rules) defining a threshold (or thresholds) for at least one characteristic and/or trait, selecting ones of the filtered target crosses based on risk associated with the selected one of the filtered target crosses, and directing the selected ones of the filtered target crosses into a breeding pipeline, thereby providing crosses to the breeding pipeline based, at least in part, on commercial success of parents included in the selected ones of the filtered crosses.

Abstract: In one embodiment, a medical system includes a catheter including electrodes, and configured to be inserted into a chamber of a heart and maneuvered among sampling sites to sample electrical activity, a display, and processing circuitry to receive signals provided by the catheter, and compute, for each sampling site, a sampling position of the catheter and respective electrode positions of the catheter electrodes, render to the display a 3D representation of the chamber including respective sampling-site markers indicating the computed sampling position of the catheter at respective ones of the sampling sites, receive a user input selecting one sampling-site marker, and update the 3D representation to include electrode markers indicating the respective electrode positions of the respective catheter electrodes while the catheter was sampling the electrical activity of the tissue at the sampling site corresponding to the selected sampling-site marker.

Abstract: A resource management system for better operation of a plurality of devices. The system comprises an input interface (IN) for receiving input data including one or more characteristics of at least one work object (P1-P3) and/or including context data. The at least one work object (P1-P3) can be processed by one or more processing devices (Mij). The said processing is specified in a respective work specification (S1-S3). A predictor component (PC) of the system is configured to predict, based on the input data, a change to the work specification. The system comprises an output interface (OUT) for providing output data that represents said predicted change.

Abstract: The disclosed embodiments include a computer-implemented method for communications centric care. A caregiver interface serves a patient interface in accordance with a disease management program to collaboratively lead the patient to recover from a disease. The method can include obtaining content items relating to a patient and labeling each content item as either a secure content item or an unsecure content item, and then comparing the labels with identifiers of the patient, the caregiver, and/or a schedule key events of the disease management program. The content items are selectively bifurcated for the patient and/or caregiver interfaces. As such, the interfaces can manage communications in accordance with the disease management program.

Abstract: Described are systems and methods that detect a call connection of a call (e.g., telephone call, social media call, etc.) between a first device of a user, such as a cellular phone, and a device of another person with which the user is to interact via the call. Upon detection of the call connection, another device of the user (e.g., wearable) records audio of the environment to detect speech output by the user during the call. The speech is then processed to determine sentiment(s) of the user during the call. The determined sentiment(s) of the user may then be presented to the user to aid the user in understanding how the speech of the user is perceived by others.

Abstract: An apparatus for contextual execution comprises a processor, and a memory containing instructions, which when executed by the processor, cause the apparatus to receive, from a user terminal, a control input associated with an intent, obtain location data associated with a location of the user terminal, and determine a scored set of execution options associated with the control input. Further, the instructions, when executed by the processor cause the apparatus to obtain a contextual label associated with the location data, the label determined based on the application of one or more adapted pretrained deep learning models to the location data.

Abstract: This invention relates to graphical user-interactive displays for use in MS-based analysis of protein impurities, as well as methods and software for generating and using such. One aspect provides a user-interactive display comprising interactive and dynamic selection of one or more masses and concurrent display of peaks (points) corresponding to that predicted mass value across other displays (MS1, deconvolved mass spectrum, etc.).

Abstract: Aspects of the present disclosure provide an environmental probe configured to be at least partially inserted into the ground at a location and to provide defensible space monitoring and maintenance for a home or other structure. The environmental probe may include one or more environmental sensors configured to perform various environmental measurements to generate environmental measurement data. The environmental probe (e.g., a processor of the environmental probe) may compare the environmental measurement data to one or more thresholds to determine an alert state associated with the location. The environmental probe may include one or more wireless interfaces configured to enable communication with a remote device, such as a smart hub device or other environmental probes. The environmental probe may transmit an indicator of the alert state to the remote device to enable performance of one or more operations based on the alert state.

Abstract: One embodiment of the invention is directed to a sample processing system for analyzing a biological sample from a patient. The sample processing system comprises: a plurality of analyzers comprising at least one mass spectrometer, wherein each analyzer in the plurality of analyzers is configured to acquire at least one measurement value corresponding to at least one characteristic of the biological sample; at least one data storage component which stores (i) a list of parameters for the plurality of analyzers, and (ii) at least two condition sets, which contain data associated with completing one or more test orders. The condition sets contain data which differ by at least one variable; and a control system operatively coupled to the plurality of analyzers, and the at least one data storage component.

Abstract: A relevance searching method performed by a computer, the relevance searching method includes generating a combined database by combining a plurality of databases each including a plurality of elements and relevance information indicating direct relevance between two elements in the plurality of elements; and searching for relevance between two elements that do not have direct relevance by using the combined database.

Abstract: The invention features methods for the treatment of cystinosis and other cysteamine sensitive disorders in a subject including administration of a disulfide convertible to cysteamine in vivo. The methods can include the separate administration of a reducing agent to the subject to increase the bioavailablity and extend the plasma pharmacokinetic profile of the cysteamine produced following administration of the disulfide. The methods permit sustained cysteamine plasma concentrations in a subject.

Abstract: Data processing systems and methods according to various embodiments are adapted for automatically detecting and documenting privacy-related aspects of computer software. Particular embodiments are adapted for: (1) automatically scanning source code to determine whether the source code include instructions for collecting personal data; and (2) facilitating the documentation of the portions of the code that collect the personal data. For example, the system may automatically prompt a user for comments regarding the code. The comments may be used, for example, to populate: (A) a privacy impact assessment; (B) system documentation; and/or (C) a privacy-related data map. The system may comprise, for example, a privacy comment plugin for use in conjunction with a code repository.

Abstract: A system and method for identification of key driver responsible for bringing changes in a microbial population is provided. The method involves construction of microbial association networks with each microbial taxa as nodes and their associations as edges and subsequent identification of crucial ‘driver’ nodes involved in the studied disease progression. While comparing a particular node between two networks, this method takes individual nodes and their associations into account as well as the identity of their interacting partners. A taxon in the diseased state with an altered set of associations while still being increasingly important for the whole network necessarily holds a key significance in microbial interplay. Using this rationale, this methodology computes a score to quantify this change for each node and calculates its statistical significance.

Abstract: One variation of a method for interpreting pressures in plants includes: accessing a first image of a first set of sentinel plants in a field; accessing a second image of a second set of sentinel plants in the field, recorded during a first period; interpreting a first pressure of a stressor in the first set based on features extracted from the first image, captured during the first period; interpreting a second pressure in the second set based on features extracted from the second image; deriving a model associating pressure at the first set and pressure at the second set based on the first pressure and the second pressure; interpreting a third pressure in the first set based on features extracted from a third image captured during a second period; and predicting a fourth pressure in the second set during the second period based on the third pressure and the model.

Abstract: Medical devices and related systems and methods are provided. A method of providing a notification pertaining to a physiological condition using a translation model involves identifying an error metric associated with an input variable associated with the translation model, determining a reference output of the translation model by providing reference values for the input variable to the translation model, generating modulated values for the input variable based on the reference values using the error metric, determining a simulated output of the translation model by providing the modulated values for the input variable to the translation model, and updating the translation model to reduce a weighting associated with the input variable when a difference between the simulated output and the reference output is greater than a threshold.

Abstract: A system and method for region-based calling utilizes a probability distribution of a phi-transformed logarithmic ratio to determine a set of possible transition paths through markers and marker states, constructs a local evidence matrix for each of the markers and generates a total per-marker value for each segment in a discrete region.

Abstract: Provided is a particle behavior simulation method and a particle behavior simulation system for representing behavior of each particle in a large-scale particle system quickly and accurately. The particle behavior simulation system is configured to execute a coarse-graining processing of reconstituting a plurality of particles that mix with each other and constitute a predetermined powder as a particle system into a plurality of particle groups each including a plurality of the particles, an acting force calculation processing of calculating an acting force acting on each of the particle groups, and a mixing state calculation processing of calculating a parameter representing a mixing state of constituent particles of each of the particle groups after a predetermined time based on the calculated acting force.

Abstract: A method (100) for standardizing gene nomenclature, comprising: (i) receiving (110) a source; (ii) tokenizing (120) the source; (iii) comparing (130) a first token to a prefix tree structure with a root node, edges, and leaf nodes; (iv) determining (140) which edge extending from the root node to associated first leaf nodes the first token matches; (v) updating (150) an identification pointer with the location of the first leaf node; (vi) determining (160) which of one or more edges that a second token matches; (vii) updating (170) the identification pointer with the location of the second leaf node; (viii) repeating (172) the determining (160) and updating (170) steps with subsequent tokens until a subsequent token fails to match an edge extending from a leaf node or there is no edge extending from the leaf node; and (ix) providing (180) an identification of a canonical gene name.

Abstract: In an aspect, a system and method for generating keys associated with cluster categories including receiving at least a biological extraction, classifying the biological extraction to a biological extraction cluster, generating a plurality of biological extraction cluster s to biological cluster categories, and producing a cluster description posting where the cluster description posting generates a digest that is signed with a cluster key.

Abstract: A method for detecting cardiac arrhythmia based on a photoplethysmographic (PPG) signal is provided. The method includes: receiving a PPG signal and a motion signal corresponding to a motion made by a user; extracting PPG signal segments and motion signal segments corresponding to a time period from the PPG signal and the motion signal, respectively, at every time period; filtering out motion artifact noise in the PPG signal segments according to the PPG signal segments and the motion signal segments, and converting the PPG signal segments and the motion signal segments into PPG spectrum diagrams and motion spectrum diagrams, respectively; obtaining an estimated heart rate according to the PPG spectrum diagrams and the motion spectrum diagrams; and determining whether cardiac arrhythmia is present based on the filtered PPG signal segments and the estimated heart rate.

Abstract: This invention relates to a method of selecting a collection of frame-shift peptides (CFSPs) to produce a universal cancer vaccine peptide collection (CVP) for prophylaxis and treatment of patients with hereditary and sporadic micro-satellite instability (MSI) tumors. This invention relates as well to a method of producing a CVP by selecting a subset of frame-shift peptides (FSPs) from the CFSP and optionally modifying the FSP's amino acid (aa) sequence to generate modified FSPs (mFSPs). The invention further relates to nucleic acid collections encoding a CVP of FSPs and/or mFSPs in one or more vaccine vectors that can be used also simultaneously. These CVPs, nucleic acids and vectors are used for the prophylaxis or treatment of MSI cancers.

Abstract: A system for telemedicine diagnostics through remote sensing includes a computing device configured to initiate a communication interface between the computing device and a client device operated by a human subject, wherein the secure communication interface includes an audiovisual streaming protocol, receive, from at least a remote sensor at the human subject, a plurality of current physiological data, generate a clinical measurement approximation as a function of the change of a first discrete and a second discrete set of current physiological data, wherein generating further comprises receiving approximation training data correlating physiological data with clinical measurement data, training a measurement approximation model as a function of the training data and a machine-learning process, and generating the clinical measurement approximation as a function of the current physiological data and the measurement approximation model, and presenting the clinical measurement approximation to a user of the comp

Abstract: A method, software, database and system for attribute partner identification and social network based attribute analysis are presented in which attribute profiles associated with individuals can be compared and potential partners identified. Connections can be formed within social networks based on analysis of genetic and non-genetic data. Degrees of attribute separation (genetic and non-genetic) can be utilized to analyze relationships and to identify individuals who might benefit from being connected.

Abstract: Techniques for real-time or substantially real-time peak detection are described. In one embodiment, for example, logic coupled to memory may be configured to receive data from at least one analytical instrument and perform processing or analysis on the received data. Moreover, the logic may be configured to determine, via one or more GPUs or CPUs (or both), one or more peaks based on the processing or the analysis of the received data and generate peak detection data based on the detected one or more peaks in real-time or substantially real-time. Other embodiments are described.

Abstract: High-throughput production of modified microbes is achieved through optimization of directed build graph data structures representing biological workflows. Portions of otherwise unrelated workflows may be combined where they share common biological reaction steps, and processed by a genetic manufacturing facility to take advantage of operational efficiencies. Workflows may be mapped to physical laboratory equipment in a manner that optimizes material transfers. Different automated platforms running different machines in different languages are coordinated in a device-agnostic and language-agnostic manner.

Abstract: A dataset is obtained comprising data blocks, each representing a different characteristic, for a plurality of cells across a plurality of bins, each bin representing a different portion of a reference sequence. Cells are clustered on one such characteristic across the bins thereby forming a tree that includes root, intermediate, and terminal nodes, where the cells are terminal nodes and intermediate nodes have daughter nodes, themselves being intermediate nodes or a cell. A subset of the tree is displayed that includes the root and leaves, each leaf representing an intermediate node or a cell. A heat map of the characteristic is also displayed, the map including a segment for each leaf, across the bins. When a segment represents an intermediate node, it is an average of the characteristic across daughters of the node. Graphs of characteristics for the root across the bins are also displayed.

Abstract: Methods for evaluating microsatellite instability (MSI) analyze nucleic acid sequence reads corresponding to a plurality of marker regions for MSI. The marker regions may include long homopolymers and/or short tandem repeats (STRs). For a target homopolymer, a histogram of homopolymer signal values is calculated based on flow space signal measurements for the homopolymer region in the sequence reads. A score per marker based on features of the histogram of homopolymer signal values is determined for each marker region corresponding to the target homopolymers. For a target STR, the method includes calculating a histogram of repeat lengths for sequence reads corresponding to the marker region of the target STR. A score per STR marker is calculated based on features of the histogram of repeat lengths. A plurality of per marker scores may be combined to form a total MSI score for the sample.

Abstract: A method for detecting the quality of cell culture fluid based on Raman spectral measurement. The method comprises the following steps: collecting cell culture fluid; collecting, processing and analyzing a Raman spectral signal; measuring an original Raman spectral signal of a metabolite in the cell culture fluid using a Raman spectra technique; determining whether the original Raman spectral signal is qualified, and carrying out data signal processing on the qualified original Raman spectral signal to obtain analyzable signals; and then carrying out difference statistical analysis on the analyzable signals to obtain difference signals; carrying out modeling using the difference signals; classifying the difference signals using a support vector machine; and distinguishing the spectral signals of normal and abnormal cell culture fluid to obtain a quality result of the cell culture fluid.

Abstract: To provide an information processing apparatus and an information processing method capable of easily calculating an error amount included in a measurement value. An information processing apparatus includes: an extraction unit configured to extract each parameter variation that affects fluorescence intensity that is measured when a particle is irradiated with a light beam, from a database on the basis of a measurement condition; and a computation unit configured to generate a calculation formula representing an error amount included in the fluorescence intensity on the basis of the extracted each parameter variation.

Abstract: Described are a test device, a multi-specimen test fixture star and a multi-specimen test fixture. The test device includes a bath chamber that is automatically replenished with bath liquid throughout an extended test period. The multi-specimen test fixture star is non-circularly symmetric and can be used, for example, in a rectangular bath chamber to hold a greater number of test specimens than a circularly symmetric test fixture star. The multi-specimen test fixture includes, in part, a multi-specimen test fixture star and a shaft having one or more keyways and enables the test fixture star to be repositioned along the shaft without loss of rotational alignment to the shaft.

Abstract: A system for displaying and interacting with magnetic resonance imaging (MRI) data acquired using an MRI system includes an image reconstruction module configured to receive the MRI data and to reconstruct a plurality of images using the MRI data, an image rendering module coupled to the image reconstruction module and configured to generate at least one multidimensional image based on the plurality of images and a user interface device coupled to the image rendering module and located proximate to a workstation of the MRI system. The user interface device is configured to display the at least one multidimensional image in real-time and to facilitate interaction by a user with the multidimensional image in a virtual reality or augmented reality environment.

Abstract: Disclosed is a FRET based assay and related products. The assay employs molecular imprinted polymers having a very high affinity for their target.

Abstract: There is provided a technology that supports selection of a label to be used for analysis of target molecules. The present technology provides a label selection support system including an information acquisition unit that obtains, via a network, information associated with a plurality of target molecules to be analyzed, an information processor that obtains, using the information associated with a plurality of target molecules, in vivo expression information of the plurality of target molecules from a database storing in vivo expression information of target molecules and generates support information associated with assignment of a label to each of the plurality of target molecules on the basis of the expression information, and a transmitter that transmits the generated support information via the network.

Abstract: According to an aspect, there is provided a method of sending a message to a subject, the method comprising obtaining (30; 502) measurements of one or more physiological characteristics of a subject over time; determining (32; 504) a psychological state of the subject for a plurality of time periods from the measurements; and in the event that it is determined that the subject is in a psychological state of interest in a first time period, sending (34; 514) a message to the subject in a time period subsequent to the first time period in which it is determined that the subject is not in the psychological state of interest.

Abstract: A control method and system for filtering power line interference is disclosed. The control method includes the following steps. First, ECG signals are pre-segmented and rectified; then the sinusoidal frequency, amplitude, and phase of the rectified segmented signals are extracted. These estimated sinusoidal parameters from each recorded channel are weighted by their individual signal to noise ratios before being averaged to achieve the optimal powerline frequency, amplitude, and phase. Based on these optimal sinusoidal parameters, the individual sinusoidal waveform is reconstructed and then is subtracted from the corresponding ECG segment, in order to obtain the clean ECG signals. This method of filtering the powerline interference through removal from recorded signals enables accurate measurement without any ringing effect that could lead to signal distortion issues.

Abstract: Devices and methods for learning and/or predicting the self-reported pain improvement levels of osteoarthritis (OA) patients are provided. A device or apparatus can include a processor and a machine-readable medium in operable communication with the processor and having stored thereon an algorithm and a unique set of features. The algorithm and set of features can enable building one or more models that learn the self-reported pain improvement levels of OA patients.

Abstract: Embodiments of the present disclosure include a method, device and computer readable medium involving receiving image data of one or more coronary arteries, generating a binary segmentation indicating presence of calcium in the one or more coronary arteries from the image data, generating a branch density of the one or more coronary arteries, and assigning a coronary artery label from the branch density to the binary segmentation such that at least one indication of presence of calcium of the binary segmentation is labeled as present in a specific one of the one or more coronary arteries.

Abstract: A method of selecting a plant variety for cultivation in a target area includes selecting a selection score function; estimating values of a first set of environmental parameters for a predefined future period of time for the target area and receiving a set of phenotype information including phenotypic trait measurements for a first sub-set of a plurality of plant varieties and a set o environmental parameters for said first sub-set. Furthermore, the method includes determining a prediction model for the phenotypic traits; using the prediction model to output predictions for phenotypic traits for the plurality of chosen plant varieties; using the selection score function to compute selection score values; and selecting at least one plant variety to be cultivated in the target area from the plurality of chosen plant varieties, based the computed selection score values of the plurality of chosen plant varieties.

Abstract: A system for identifying and evaluating a pocket of a protein includes performing a Voronoi tessellation and developing a Voronoi diagram of a surface of the protein. All alpha-spheres on the surface of the protein are identified. The alpha-spheres are filtered based on radius and remaining alpha-spheres are clustered into alpha-clusters. At least one alpha-cluster is selected for quantitative evaluation. Alpha-sphere contact atoms are determined for a plurality of interaction points of the pocket. A Delaunay triangulation of the four contact atoms of each interaction point is performed. A plurality of alpha-spaces for each interaction point are determined. An alpha-atom and an alpha-atom contact surface area (ACSA) of each interaction point is determined. The pocket is ranked, a pocket-fragment complementarity is determined, and the pocket is matched between various conformations of the proteins.

Abstract: Systems and methods for modeling a three-dimensional protein structure are disclosed. The method includes receiving a primary amino acid sequence of a three-dimensional protein, translating the primary amino acid sequence to a first vector, determining a per-residue conformation index for each amino acid residue in the primary amino acid sequence, determining a vector set for each amino acid residue in the primary amino acid sequence, and using the per-residue interaction vector set to generate a multi-dimensional matrix for the three-dimensional protein structure. The first vector includes a unique numerical descriptor value corresponding to each amino acid residue in the primary amino acid sequence. The vector set includes a plurality per-residue interaction factors corresponding to a plurality of conformation indexes for that amino acid residue.