The patent badge is an abbreviated version of the USPTO patent document. The patent badge does contain a link to the full patent document.

The patent badge is an abbreviated version of the USPTO patent document. The patent badge covers the following: Patent number, Date patent was issued, Date patent was filed, Title of the patent, Applicant, Inventor, Assignee, Attorney firm, Primary examiner, Assistant examiner, CPCs, and Abstract. The patent badge does contain a link to the full patent document (in Adobe Acrobat format, aka pdf). To download or print any patent click here.

Date of Patent:
Sep. 24, 2024

Filed:

Mar. 05, 2019
Applicant:

The Board of Trustees of the Leland Stanford Junior University, Stanford, CA (US);

Inventors:

Evan Nathaniel Feinberg, Fairfield, CT (US);

Vijay Satyanand Pande, Los Altos Hills, CA (US);

Attorney:
Primary Examiner:
Assistant Examiner:
Int. Cl.
CPC ...
G16B 5/00 (2019.01); G06F 30/20 (2020.01); G06F 111/08 (2020.01); G06N 20/20 (2019.01);
U.S. Cl.
CPC ...
G16B 5/00 (2019.02); G06F 30/20 (2020.01); G06N 20/20 (2019.01); G06F 2111/08 (2020.01);
Abstract

Systems and methods for molecular simulation in accordance with embodiments of the invention are illustrated. One embodiment includes a method for predicting a relationship between a ligand and a receptor. The method includes steps for identifying a plurality of conformations of a receptor, computing docking scores for each of the plurality of conformations and a set of one or more ligands, and predicting a relationship between the set of one or more ligands and the plurality of conformations of the receptor.


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