Polarizable empirical force field for hexopyranose monosaccharides based on the classical drude oscillator

Journal of Physical Chemistry B

Volumn 119, Issue 3, 2015, Pages 637-652

  Patel, Dhilon S ^a   He, Xibing ^a   Mackerell, Alexander D ^a  

^a UNIVERSITY OF MARYLAND   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

LIPIDS; QUANTUM THEORY; VIBRATIONS (MECHANICAL);

CONFORMATIONAL ENERGIES; DIFFUSION CONSTANT; ELECTROSTATIC MODELING; EMPIRICAL FORCE FIELDS; PARAMETER OPTIMIZATION; POLARIZABLE FORCE FIELD; QUANTUM MECHANICAL; WATER INTERACTIONS;

GLUCOSE;

MONOSACCHARIDE; PYRAN DERIVATIVE; WATER;

CHEMISTRY; CONFORMATION; MOLECULAR DYNAMICS; QUANTUM THEORY; ROTATION;

CARBOHYDRATE CONFORMATION; MOLECULAR DYNAMICS SIMULATION; MONOSACCHARIDES; PYRANS; QUANTUM THEORY; ROTATION; WATER;

EID: 84902971502     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp412696m     Document Type: Article

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