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
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) , computer science , monte carlo method , protein structure , biological system , sampling (signal processing) , biophysics , computational biology , chemistry , biology , computational chemistry , biochemistry , mathematics , statistics , medicine , art , nursing , filter (signal processing) , visual arts , computer vision
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