Abstract: A system, device, and method for predicting a docked position of a target ligand in a binding site of a biomolecule is disclosed. The prediction makes use of a template ligand-biomolecule complex structure in order to predict a target ligand-biomolecule complex structure. The system and device contain modules allowing for the prediction of a target-ligand biomolecule complex structure. A preparation module can receive information identifying a target ligand and a template ligand-biomolecule structure. A pharmacophore matcher module can identify common pharmacophores between the template ligand and the target ligand. A docking module can predict a docked ligand position of the target ligand by overlapping the pharmacophore models of the target ligand and template ligand while the template ligand is in the binding site of the biomolecule. A biomolecule modification module can modify the biomolecule to reduce clashes between the docked target ligand and the biomolecule.

Abstract: A system, device, and method for predicting a docked position of a target ligand in a binding site of a biomolecule is disclosed. The prediction makes use of a template ligand-biomolecule complex structure in order to predict a target ligand-biomolecule complex structure. The system and device contain modules allowing for the prediction of a target-ligand biomolecule complex structure. A preparation module can receive information identifying a target ligand and a template ligand-biomolecule structure. A pharmacophore matcher module can identify common pharmacophores between the template ligand and the target ligand. A docking module can predict a docked ligand position of the target ligand by overlapping the pharmacophore models of the target ligand and template ligand while the template ligand is in the binding site of the biomolecule. A biomolecule modification module can modify the biomolecule to reduce clashes between the docked target ligand and the biomolecule.

Abstract: A system, device, and method for predicting a docked position of a target ligand in a binding site of a biomolecule is disclosed. The prediction makes use of a template ligand-biomolecule complex structure in order to predict a target ligand-biomolecule complex structure. The system and device contain modules allowing for the prediction of a target-ligand biomolecule complex structure. A preparation module can receive information identifying a target ligand and a template ligand-biomolecule structure. A pharmacophore matcher module can identify common pharmacophores between the template ligand and the target ligand. A docking module can predict a docked ligand position of the target ligand by overlapping the pharmacophore models of the target ligand and template ligand while the template ligand is in the binding site of the biomolecule. A biomolecule modification module can modify the biomolecule to reduce clashes between the docked target ligand and the biomolecule.

Abstract: An apparatus and method for managing a user's ability to access content on the Internet involves a reporting and control server, an Internet Access Control (IAC) device, the IAC device including at least one light to indicate when at least one disallowed event has occurred, and a reset component which, for the at least one light to be reset, must be coupled to the IAC device. The method involves receiving a web address, determining whether a requested Domain Name System (DNS) server is an acceptable DNS server, determining whether an IP address provided by the acceptable DNS server is a redirect IP address and, if so, indicating an objectionable content event has occurred by changing a state of at least one light on the IAC device, sending information so that a reporting and control server can transmit a reset, receiving the reset, and resetting the at least one light.

Abstract: An apparatus and method for managing a user's ability to access content on the Internet involves a reporting and control server, an Internet Access Control (IAC) device, the IAC device including at least one light to indicate when at least one disallowed event has occurred, and a reset component which, for the at least one light to be reset, must be coupled to the IAC device. The method involves receiving a web address, determining whether a requested Domain Name System (DNS) server is an acceptable DNS server, determining whether an IP address provided by the acceptable DNS server is a redirect IP address and, if so, indicating an objectionable content event has occurred by changing a state of at least one light on the IAC device, sending information so that a reporting and control server can transmit a reset, receiving the reset, and resetting the at least one light.