Open AccessEvaluating the Performance of MM/PBSA for Binding Affinity Prediction Using G Protein-Coupled Receptor Crystal Structures
Author(s) -
Mei Qian Yau,
Abigail L. Emtage,
Jason Siau Ee Loo
Publication year - 2018
Publication title -
frontiers in pharmacology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.384
H-Index - 86
ISSN - 1663-9812
DOI - 10.3389/conf.fphar.2018.63.00052
Subject(s) - g protein coupled receptor , docking (animal) , molecular dynamics , chemistry , force field (fiction) , crystal structure , chembl , virtual screening , molecular mechanics , computational chemistry , crystallography , drug discovery , receptor , computer science , artificial intelligence , medicine , veterinary medicine , biochemistry