Time-averaged distributions of solute and solvent motions: Exploring proton wires of GFP and PfM2DH

Journal of Chemical Information and Modeling

Volumn 54, Issue 12, 2014, Pages 3344-3361

  Velez Vega, Camilo ^a   McKay, Daniel J J ^a   Aravamuthan, Vibhas ^a   Pearlstein, Robert ^a   Duca, José S ^a  

^a NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHROMOPHORES; HYDROGEN; HYDROGEN BONDS; MOLECULAR DYNAMICS; PROTEINS; SOLVATION; SOLVENTS;

BINARY AND TERNARY COMPLEXES; EXPLICIT SOLVENT MOLECULAR DYNAMICS; GREEN FLUORESCENT PROTEIN; HYDROGEN BONDING NETWORK; PLAUSIBLE MECHANISMS; PROTON TRANSLOCATION; PSEUDOMONAS FLUORESCENS; SOLVATION ANALYSIS;

CRYSTAL STRUCTURE;

GREEN FLUORESCENT PROTEIN; MANNITOL DEHYDROGENASE; PROTON; SOLVENT;

CHEMISTRY; ENZYME ACTIVE SITE; ENZYMOLOGY; GENETICS; METABOLISM; MOLECULAR DYNAMICS; MOVEMENT (PHYSIOLOGY); MUTATION; PROTEIN SECONDARY STRUCTURE; PSEUDOMONAS FLUORESCENS; TIME; X RAY CRYSTALLOGRAPHY;

CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; GREEN FLUORESCENT PROTEINS; MANNITOL DEHYDROGENASES; MOLECULAR DYNAMICS SIMULATION; MOVEMENT; MUTATION; PROTEIN STRUCTURE, SECONDARY; PROTONS; PSEUDOMONAS FLUORESCENS; SOLVENTS; TIME FACTORS;

EID: 84919663273     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500571h     Document Type: Article

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