A Markov-chain model description of binding funnels to enhance the ranking of docked solutions

Proteins: Structure, Function and Bioinformatics

Volumn 81, Issue 12, 2013, Pages 2143-2149

  Torchala, Mieczyslaw ^a   Moal, Iain H ^a,b   Chaleil, Raphael A G ^a   Agius, Rudi ^a   Bates, Paul A ^a  

^a IMPERIAL CANCER RESEARCH FUND   (United Kingdom)

^b BARCELONA SUPERCOMPUTING CENTER   (Spain)

Author keywords

Markovian dynamics; Node occupancies; Protein conformational states; Protein protein docking funnels; Scoring protein complexes; SwarmDock

Indexed keywords

BINDING PROTEIN;

ARTICLE; BINDING SITE; ENERGY; FILTRATION; MARKOV CHAIN MODEL; MODEL; PRIORITY JOURNAL; PROBABILITY;

MARKOVIAN DYNAMICS; NODE OCCUPANCIES; PROTEIN CONFORMATIONAL STATES; PROTEIN-PROTEIN DOCKING FUNNELS; SCORING PROTEIN COMPLEXES; SWARMDOCK;

BINDING SITES; COMPUTER SIMULATION; MARKOV CHAINS; MODELS, MOLECULAR; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; SOFTWARE; SOLUTIONS; THERMODYNAMICS;

EID: 84888293785     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.24369     Document Type: Article

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