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 System for electronically managing, finding, and/or displaying biomolecular interactions

Details
Inventors: Hogue, Christopher; Bader, Gary;
Assignee: Mount Sinai Hospital (Toronto, CA)
Primary Examiner: Robinson; Greta
Assistant Examiner: Dodds, Jr.; Harold E.
Attorney, Agent or Firm: Merchant & Gould, P.C.

A system for electronically, managing, finding, and/or visualizing biomolecular interactions is described. A computer-implemented system of the invention has a database having a plurality of records. Each record contains a reference biomolecular interaction defined by a chemical graph and descriptive information from an external database. The information correlates the biomolecular interactions to records in the external batabase. The system has a user interface allowing a user to selectively view information regarding a biomolecular interaction.

DETAILED DESCRIPTION What is claimed is: 1.
A system for electronically managing, finding, and/or visualizing biomolecular interactions comprising a computer system including at least one computer receiving data on biomolecular interactions from a plurality of providers and processing such data to create and maintain images and/or text defining molecules in biomolecular interactions as connectivity graphs of atoms and bonds in the molecules that can include three-dimensional coordinates, said computer system, in response to data requests, creating and transmitting to a plurality of end-users, the images and/or text defining biomolecular interactions.
2.
A system as claimed in claim 1 wherein the biomolecular interactions comprise a protein, nucleic acid, ligand, molecular complex, and signaling pathway.
3.
A method for displaying on a computer screen information concerning biomolecular interactions comprising retrieving an image and/or text defining a biomolecular interaction from a system as claimed in claim 1.
4.
A data structure stored in the memory of a computer, the data structure having a plurality of records, each record containing a biomolecular interaction; wherein molecules in the biomolecular interaction are defined by connectivity graphs of atoms and bonds in the molecules that can include three-dimensional coordinates, and information relating to the biomolecular interaction.
5.
A data structure as claimed in claim 4 wherein the information is accessible by using indices representing selections of information from the connectivity graphs.
6.
A method for storing a representation of a biomolecular interaction in a memory of a computer system, the method executed on a computer system and comprising the steps of: (a) identifying connectivity graphs of atoms and bonds in molecules of a biomolecular interaction that can include three-dimensional coordinates; and (b) storing a record in a data structure as claimed in claim 4.
7.
A method for storing a representation of a biomolecular interaction in a memory of a computer system, the method executed on a computer system and comprising the steps of: (a) identifying connectivity graphs of atoms and bonds in molecules of a biomolecular interaction that can include three-dimensional coordinates; (b) generating one or more indices from information in the connectivity graphs; and (c) storing a record in a data structure as claimed in claim 5



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