Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew

Journal of Chemical Physics

Volumn 120, Issue 20, 2004, Pages 9665-9678

  Horn, Hans W ^a   Swope, William C ^a   Pitera, Jed W ^a   Madura, Jeffry D ^b   Dick, Thomas J ^b   Hura, Greg L ^c   Head Gordon, Teresa ^d  

^a IBM ALMADEN RESEARCH CENTER   (United States)

^b DUQUESNE UNIVERSITY   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

^d University of California   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOMOLECULAR SIMULATIONS; EWALD SUMMATION; EWALD TECHNIQUES; WATER POTENTIALS;

COMPUTER SIMULATION; DENSITY OF LIQUIDS; DIFFUSION; ENTHALPY; HYDROGEN BONDS; KINETIC THEORY; LIGHT SCATTERING; MATHEMATICAL MODELS; MOLECULAR VIBRATIONS; THERMODYNAMIC PROPERTIES; VAPORIZATION; X RAY ANALYSIS;

WATER;

WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; KINETICS; THERMODYNAMICS;

COMPUTER SIMULATION; KINETICS; MODELS, CHEMICAL; THERMODYNAMICS; WATER;

EID: 2942622288     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1683075     Document Type: Article

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