Open AccessInduced fit with replica exchange improves protein complex structure prediction
Author(s) -
Ameya Harmalkar,
Sai Pooja Mahajan,
Jeffrey J. Gray
Publication year - 2022
Publication title -
plos computational biology/plos computational biology
Language(s) - Uncategorized
Resource type - Journals
SCImago Journal Rank - 2.628
H-Index - 182
eISSN - 1553-7358
pISSN - 1553-734X
DOI - 10.1371/journal.pcbi.1010124
Subject(s) - replica , molecular dynamics , docking (animal) , monte carlo method , protein structure , computer science , biological system , biophysics , sampling (signal processing) , protein structure prediction , computational biology , chemistry , biology , computational chemistry , statistics , biochemistry , mathematics , medicine , art , nursing , filter (signal processing) , visual arts , computer vision