Abstract: A configurator using structure and rules to provide a user interface. According to one embodiment of the invention, a customizable product class is created. The customizable product class includes a set of one or more attributes to define the customizable product class. A component product class is added to the customizable product class, where the component product class is a subclass of the customizable product. A customizable class rule is associated to the customizable product class, the customizable class rule including expressions which provide conditions on component products added to the customizable product. A customizable UI is mapped to the customizable product class, where the customizable UI provides access structure to the configurator.

Abstract: A hash module of a mail sender creates a hash data context structure. The hash module processes the headers and the body of an e-mail message in the order required, for example by the DKIM specification, until the data to be hashed has been input. The hash module converts the context structure into printable characters and the encoded structure is transmitted over the Internet or other network to the next participating system. The token authority's hash module decodes the context back into binary form. After ensuring business logic is satisfied, it generates additional headers required for signature, which are then added to the developing hash. The hash module finalizes the hash function and creates the hash value. The authorization module creates the signature and returns it to the e-mail module, which attaches the signature to the message and transmits it to the destination mailbox provider, which verifies the token.

Abstract: A hash module of a mail sender creates a hash data context structure. The hash module processes the headers and the body of an e-mail message in the order required, for example by the DKIM specification, until the data to be hashed has been input. The hash module converts the context structure into printable characters and the encoded structure is transmitted over the Internet or other network to the next participating system. The token authority's hash module decodes the context back into binary form. After ensuring business logic is satisfied, it generates additional headers required for signature, which are then added to the developing hash. The hash module finalizes the hash function and creates the hash value. The authorization module creates the signature and returns it to the e-mail module, which attaches the signature to the message and transmits it to the destination mailbox provider, which verifies the token.

Abstract: A configurator using structure and rules to provide a user interface. According to one embodiment of the invention, a customizable product class is created. The customizable product class includes a set of one or more attributes to define the customizable product class. A component product class is added to the customizable product class, where the component product class is a subclass of the customizable product. A customizable class rule is associated to the customizable product class, the customizable class rule including expressions which provide conditions on component products added to the customizable product. A customizable UI is mapped to the customizable product class, where the customizable UI provides access structure to the configurator.

Abstract: A configurator using structure and rules to provide a user interface. According to one embodiment of the invention, a customizable product class is created. The customizable product class includes a set of one or more attributes to define the customizable product class. A component product class is added to the customizable product class, where the component product class is a subclass of the customizable product. A customizable class rule is associated to the customizable product class, the customizable class rule including expressions which provide conditions on component products added to the customizable product. A customizable UI is mapped to the customizable product class, where the customizable UI provides access structure to the configurator.

Abstract: A configurator using structure and rules to provide a user interface. According to one embodiment of the invention, a customizable product class is created. The customizable product class includes a set of one or more attributes to define the customizable product class. A component product class is added to the customizable product class, where the component product class is a subclass of the customizable product. A customizable class rule is associated to the customizable product class, the customizable class rule including expressions which provide conditions on component products added to the customizable product. A customizable UI is mapped to the customizable product class, where the customizable UI provides access structure to the configurator.

Abstract: A method of customizing a product comprising. According to one embodiment, a set of one or more customizable product classes are available from which a create a customizable product. Upon receiving a request to create a customizable product instance, component products are provided to be associated with the customizable product if proper.

Abstract: Certification of embedded content in e-mail is provided. A sender wishing to have code certified for inclusion in e-mail sends the code to a token authority. A code verification engine acting automatically or in conjunction with an analyst examines the code to determine whether it poses a risk of harm to e-mail recipients. If not, the token authority issues a certificate for the embedded content. The mail sender sends e-mail to recipients including the embedded content, and the certification is sent in conjunction with the content itself. A mailbox provider inspects the received e-mail to determine whether it includes embedded content and, if so, whether a certification is attached that the embedded content is not harmful. If not, or if the message includes uncertified content in addition to certified content, then the message is rejected, or delivered with a warning that certification is not present.

Abstract: A method of customizing a product comprising. According to one embodiment, a set of one or more customizable product classes are available from which a create a customizable product. Upon receiving a request to create a customizable product instance, component products are provided to be associated with the customizable product if proper.

Abstract: A method implemented in the form of a computer simulation code for evaluating the free energy of binding between polypeptide amino acid residues and one or more molecular fragment types is presented. The basis of the method is a novel weighted Metropolis Monte Carlo approach for sampling the grand canonical ensemble. By making use of the properties of the grand canonical ensemble, the affinity of fragments for binding in the vicinity of each protein residue can be efficiently computed. The binding volume associated to each fragment-residue pair is estimated on the basis of a simple proximity criteria, and a useful affinity mapping of the protein surface can be obtained in this way. The analysis of such data for various fragment types provides valuable information to help identify protein binding sites, as well as to identify key fragments used for building potential drug leads.

Abstract: A method and apparatus system for generating a configurator. According to one embodiment of the invention, a customizable product class is created. The customizable product class includes a set of one or more attributes to define the customizable product class. A component product class is added to the customizable product class, where the component product class is a subclass of the customizable product. A customizable UI is mapped to the customizable product class, where the customizable UI provides access structure to the configurator.

Abstract: A facility for guiding users through a series of steps or tasks, often associated with a process, is described. The facility assigns tasks or steps to users having roles identified with the task or step. The role associated with the task or step may change depending on the state of the task or step. When the role associated with a task or step changes, the facility may assign the task or step to another user. The facility guides a user through a task or step by providing instructions and other information, such as data tables and user input fields, that may be used to complete the task or step. The facility provides for the definition of processes by allowing users to specify tasks, steps and instructions relating to processes.

Abstract: A configurator using structure and rules to provide a user interface. According to one embodiment of the invention, a customizable product class is created. The customizable product class includes a set of one or more attributes to define the customizable product class. A component product class is added to the customizable product class, where the component product class is a subclass of the customizable product. A customizable class rule is associated to the customizable product class, the customizable class rule including expressions which provide conditions on component products added to the customizable product. A customizable UI is mapped to the customizable product class, where the customizable UI provides access structure to the configurator.

Abstract: A method and apparatus system for generating a configurator. According to one embodiment of the invention, a customizable product class is created. The customizable product class includes a set of one or more attributes to define the customizable product class. A component product class is added to the customizable product class, where the component product class is a subclass of the customizable product. A customizable UI is mapped to the customizable product class, where the customizable UI provides access structure to the configurator.

Abstract: Methods and systems of analyzing positions and orientations of molecular fragments to generate macromolecular binding ligands, including analyzing the positions and orientations of molecular fragments in relation to other molecular fragments to bond the molecular fragments to form ligands.

Abstract: A method implemented in the form of a computer simulation code for evaluating the free energy of binding between polypeptide amino acid residues and one or more molecular fragment types is presented. The basis of the method is a novel weighted Metropolis Monte Carlo approach for sampling the grand canonical ensemble. By making use of the properties of the grand canonical ensemble, the affinity of fragments for binding in the vicinity of each protein residue can be efficiently computed. The binding volume associated to each fragment-residue pair is estimated on the basis of a simple proximity criteria, and a useful affinity mapping of the protein surface can be obtained in this way. The analysis of such data for various fragment types provides valuable information to help identify protein binding sites, as well as to identify key fragments used for building potential drug leads.

Abstract: Methods and systems for determining the affinity between polypeptide amino acid residues and one or more molecular fragments, and for using the affinity values to aid in drug design including a computer simulation which calculates the interaction energy between a polypeptide and at least one molecular fragment. An affinity value is then assigned to at least one fragment and residue pair if the fragment is in the vicinity of the residue. Affinity values are used to rank fragments, build ligands and determine binding sites.

Abstract: A method and computer program product for modeling a system that includes a protein and a plurality of fragments in order to identify drug leads is presented. The basis of the method is a weighted Metropolis Monte Carlo approach for sampling the Grand Canonical ensemble. This method distinguishes itself from an energy minimization approach in that it provides fragment distributions which are consistent with thermal fluctuations at physiologically relevant temperatures. The weighted Metropolis Monte Carlo scheme performs a quasi-uniform sampling of all regions of interest on the protein, and, in this way, enables to resolve the wide range in densities of the thermodynamic distribution which could not be achieved by a non-weighted Metropolis scheme. Making use of the properties of the Grand Canonical ensemble, the affinity of fragments for different regions on the protein surface can be efficiently computed.

Abstract: A method and computer program product for modeling a system that includes a protein and a plurality of different fragment types in order to identify drug leads is presented. The basis of the method is a weighted Metropolis Monte Carlo approach for sampling the grand canonical ensemble. This method distinguishes itself from an energy minimization approach in that it provides fragment distributions which are consistent with thermal fluctuations at physiologically relevant temperatures. The weighted Metropolis Monte Carlo scheme performs a quasi-uniform sampling of all regions of interest on the protein, and, in this way, enables to resolve the wide range in densities of the thermodynamic distribution which could not be achieved by a non-weighted Metropolis scheme. Making use of the properties of the grand canonical ensemble, the affinity of fragments for different regions on the protein surface can be efficiently computed, using a so-called “simulated annealing of the chemical potential” process.