Monte Carlo replica-exchange based ensemble docking of protein conformations

Proteins: Structure, Function and Bioinformatics

Volumn 85, Issue 5, 2017, Pages 924-937

  Zhang, Zhe ^a,b   Ehmann, Uwe ^a   Zacharias, Martin ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b NORTHEASTERN UNIVERSITY   (China)

Author keywords

advanced sampling simulations; protein complex formation; protein protein interaction; receptor ligand docking; replica exchange approaches

Indexed keywords

PROTEIN; PROTEIN BINDING;

ARTICLE; ENERGY; MOLECULAR DOCKING; MONTE CARLO METHOD; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN STRUCTURE; REPLICA EXCHANGE MONTE CARLO ENSEMBLE DOCKING; BINDING SITE; CHEMISTRY; PROTEIN ANALYSIS; THERMODYNAMICS;

BINDING SITES; MOLECULAR DOCKING SIMULATION; MONTE CARLO METHOD; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN INTERACTION MAPPING; PROTEINS; THERMODYNAMICS;

EID: 85013290481     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.25262     Document Type: Article

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