Quantitatively Characterizing the Ligand Binding Mechanisms of Choline Binding Protein Using Markov State Model Analysis

PLoS Computational Biology

Volumn 10, Issue 8, 2014, Pages

  Gu, Shuo ^a   Silva, Daniel Adriano ^a,b   Meng, Luming ^a   Yue, Alexander ^a   Huang, Xuhui ^a  

^a HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Hong Kong)

^b UNIVERSITY OF WASHINGTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

LIGANDS; PROTEINS;

BINDING MECHANISMS; BIOLOGICAL PROCESS; CHOLINE-BINDING PROTEINS; CONFORMATIONAL SELECTION; FLUX ANALYSIS; LIGAND BINDING; LIGAND RECOGNITION; MARKOV STATE MODELS; PROTEIN LIGANDS; RECOGNITION MECHANISM;

MOLECULAR DYNAMICS;

BINDING PROTEIN; CHOLINE BINDING PROTEIN; UNCLASSIFIED DRUG; CARRIER PROTEIN; CHOLINE; CHOLINE TRANSPORTER; PROTEIN BINDING;

ANALYSIS; ARTICLE; BINDING AFFINITY; BINDING SITE; COMPUTER MODEL; CONFORMATIONAL SELECTION; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; LIGAND BINDING; MARKOV STATE MODEL ANALYSIS; MOLECULAR DYNAMICS; MOLECULAR MODEL; MOLECULAR RECOGNITION; PROTEIN CONFORMATION; PROTEIN ENGINEERING; PROTEIN STRUCTURE; PROTEIN TRANSPORT; QUANTITATIVE ANALYSIS; STRUCTURE ANALYSIS; VALIDATION PROCESS; CHEMISTRY; METABOLISM; PROBABILITY; THERMODYNAMICS;

CHOLINE; MARKOV CHAINS; MEMBRANE TRANSPORT PROTEINS; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; THERMODYNAMICS;

EID: 84928697282     PISSN: 1553734X     EISSN: 15537358     Source Type: Journal    
DOI: 10.1371/journal.pcbi.1003767     Document Type: Article

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