Accelerated flexible protein-ligand docking using Hamiltonian replica exchange with a repulsive biasing potential

Title:: Accelerated flexible protein-ligand docking using Hamiltonian replica exchange with a repulsive biasing potential
Document type:: Zeitschriftenaufsatz
Author(s):: Ostermeir, Katja; Zacharias, Martin
Journal title:: PLOS ONE
Year:: 2017
Journal volume:: 12
Journal issue:: 2
Pages contribution:: e0172072
Fulltext / DOI:: doi:10.1371/journal.pone.0172072
Publisher:: Public Library of Science (PLoS)
E-ISSN:: 1932-6203
Date of publication:: 16.02.2017
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