A highly parallelizable integral equation theory for three dimensional solvent distribution function: Application to biomolecules

Journal of Chemical Physics

Volumn 130, Issue 6, 2009, Pages

  Yokogawa, Daisuke ^a   Sato, Hirofumi ^a   Imai, Takashi ^b   Sakaki, Shigeyoshi ^a  

^a KYOTO UNIVERSITY   (Japan)

^b RIKEN   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTALLOGRAPHY; DISTRIBUTION FUNCTIONS; FOURIER ANALYSIS; FOURIER TRANSFORMS; HYDRATES; HYDRATION; PROBABILITY DENSITY FUNCTION; PROGRAMMING THEORY; SOLVATION; X RAY CRYSTALLOGRAPHY;

3D-RISM; COMPUTATIONAL COSTS; FOURIER TRANSFORMATIONS; HYDRATION STRUCTURES; INTEGRAL-EQUATION THEORIES; MOLECULAR SYSTEMS; NEW APPROACHES; PARALLEL PERFORMANCE; REFERENCE INTERACTION SITE MODELS; SOLVATION STRUCTURES; THREE-DIMENSIONAL (3D); X-RAY CRYSTALLOGRAPHIES;

THREE DIMENSIONAL;

HYDROGEN; OXYGEN; PROTEIN; SOLVENT; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; PROTEIN CONFORMATION; X RAY CRYSTALLOGRAPHY;

COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; HYDROGEN; MODELS, MOLECULAR; OXYGEN; PROTEIN CONFORMATION; PROTEINS; SOLVENTS; WATER;

EID: 60349130039     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3077209     Document Type: Article

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