Specific and non-specific protein association in solution: Computation of solvent effects and prediction of first-encounter modes for efficient configurational bias monte carlo simulations

Journal of Physical Chemistry B

Volumn 117, Issue 41, 2013, Pages 12360-12374

  Cardone, Antonio ^a,b   Pant, Harish ^c   Hassan, Sergio A ^d  

^a UNIVERSITY OF MARYLAND   (United States)

^b NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^c NATIONAL INSTITUTE OF NEUROLOGICAL DISORDERS AND STROKE   (United States)

^d NATIONAL INSTITUTES OF HEALTH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENTHALPIES; CONFIGURATIONAL-BIAS MONTE CARLO; CONTINUUM MODELING; LONG RANGE EFFECTS; MULTI-PROTEIN COMPLEX; PROTEIN ASSOCIATIONS; PROTEIN-PROTEIN ASSOCIATIONS; PROTEIN-PROTEIN BINDING;

BINDING ENERGY; BIOCHEMISTRY; CONTINUUM MECHANICS; DIGITAL STORAGE; MONTE CARLO METHODS; PHASE INTERFACES; SOLVENTS;

PROTEINS;

PROTEIN; SOLVENT;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MONTE CARLO METHOD; PROTEIN BINDING; SOLUTION AND SOLUBILITY; THERMODYNAMICS;

ALGORITHMS; MODELS, MOLECULAR; MONTE CARLO METHOD; PROTEIN BINDING; PROTEINS; SOLUTIONS; SOLVENTS; THERMODYNAMICS;

EID: 84886907111     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp4050594     Document Type: Article

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