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.
Patent No.:
Date of Patent:
May. 12, 2020
Filed:
Jun. 07, 2017
Fujitsu Limited, Kawasaki-shi, Kanagawa, JP;
Hiroyuki Sato, Yokohama, JP;
FUJITSU LIMITED, Kawasaki, JP;
Abstract
A method, which includes: extracting one or more calculation-target water molecules that influence at least interaction energy between the target molecule and some of the drug candidate molecules, but not the interaction energy between the target molecule and all of the drug candidate molecules; and calculating each interaction energy between the target molecule and each of the drug candidate molecules with only considering the one or more calculation-target water molecules as water molecules treated positively in a calculation of each interaction energy, and with considering the one or more calculation-target water molecules only in a calculation of interaction energy which the one or more calculation-target water molecules influence, wherein the method is a method for calculating interaction energy between the target molecule and the drug candidate molecules using a calculator.