Open AccessFrustraPocket: A method to predict protein–ligand binding sites based on frustration
Author(s) -
Camila M. Clemente,
César O. Leonetti,
Soledad Ravetti,
Diego U. Ferreiro,
R. Gonzalo Parra,
María Inés Freiberger
Publication year - 2020
Publication title -
proceedings of 6th international electronic conference on medicinal chemistry
Language(s) - English
Resource type - Conference proceedings
DOI - 10.3390/ecmc2020-07440
Subject(s) - frustration , protein data bank (rcsb pdb) , sasa , docking (animal) , protein data bank , ligand (biochemistry) , computational biology , protein ligand , chemistry , protein–ligand docking , binding site , protein structure , biology , drug discovery , stereochemistry , biochemistry , virtual screening , receptor , medicine , paleontology , nursing , neuroscience