KIF-Key Interactions Finder: A program to identify the key molecular interactions that regulate protein conformational changes

Crean, RM; Slusky, JSG; Kasson, PM; Kamerlin, SCL

Kamerlin, SCL (通讯作者),Uppsala Univ, Dept Chem BMC, BMC Box 576, S-75123 Uppsala, Sweden.;Kamerlin, SCL (通讯作者),Georgia Inst Technol, Sch Chem & Biochem, 901 Atlantic Dr NW, Atlanta, GA 30332 USA.

JOURNAL OF CHEMICAL PHYSICS, 2023; 158 (14):

Abstract

Simulation datasets of proteins (e.g., those generated by molecular dynamics simulations) are filled with information about how a non-covalent interac......

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