公开(公告)号：US20190325986A1

公开(公告)日：2019-10-24

申请号：US16391581

申请日：2019-04-23

Applicant: Samsung Electronics Co., Ltd.

Inventor： Garima AGARWAL ,  Tadi Venkata SIVA KUMAR ,  Rajasekhara Reddy DUVVURU MUNI ,  Taeyong KIM

IPC: G16B15/30 ,  G16B15/20 ,  G16B35/20 ,  G16B40/20 ,  G16B45/00 ,  G16C60/00 ,  G16C20/50 ,  G16C20/64 ,  G16C20/70

Abstract: A method of predicting an amino acid substitution includes: receiving input of information regarding a structure of an enzyme along with the site of the enzyme in proximity to a bound ligand; identifying a functional atom of a wild type (WT) amino acid at the site of interest and a functional atom of the ligand; confirming properties of the functional atom of the WT amino acid and the functional atom of the ligand; detecting whether an interaction exists between the functional atom of the WT amino acid and the functional atom of the ligand; selecting alternative amino acids according to a result of the detecting of the interaction; determining a score for each of the selected alternative amino acids, respectively; ranking the selected alternative amino acids, based on the scores; and predicting substitutions of alternative amino acids having high rankings from among the selected alternative amino acids.