Solvation effect on the structural change of a globular protein: A molecular dynamics study

International Journal of Quantum Chemistry

Volumn 112, Issue 1, 2012, Pages 344-350

  Mizukami, Taku ^a   Saito, Hiroaki ^b   Kawamoto, Shuhei ^b   Miyakawa, Takeshi ^c   Iwayama, Masashi ^b   Takasu, Masako ^c   Nagao, Hidemi ^b  

^a JAPAN ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY   (Japan)

^b KANAZAWA UNIVERSITY   (Japan)

^c TOKYO UNIVERSITY OF PHARMACY AND LIFE SCIENCES   (Japan)

Author keywords

hydration water; molecular dynamics simulation; protein; solvation free energy

Indexed keywords

ENERGY REPRESENTATIONS; EXCESS CHEMICAL POTENTIALS; FIRST PRINCIPAL COMPONENTS; GLOBULAR PROTEINS; HYDRATION WATER; MOLECULAR DYNAMICS SIMULATION; PROTEIN FLUCTUATIONS; PROTEIN STRUCTURES; SOLVATION EFFECT; SOLVATION FREE ENERGIES; SOLVATION FREE ENERGY; STRONG CORRELATION; STRUCTURAL CHANGE; WATER DENSITY;

COMPUTER SIMULATION; FREE ENERGY; HYDRATION; PRINCIPAL COMPONENT ANALYSIS; PROTEINS; SOLVATION;

MOLECULAR DYNAMICS;

EID: 80855143753     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.23251     Document Type: Conference Paper

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