Anomeric free energy of D-mannose in water: A comparison of free energy perturbation, potential of mean force, and MC(JBW)/SD simulations

Journal of Physical Chemistry B

Volumn 101, Issue 8, 1997, Pages 1409-1412

  Senderowitz, Hanoch ^a   Still, W Clark ^a  

^a Och Spine at New York Presbyterian Hospitals   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTER SIMULATION; CONVERGENCE OF NUMERICAL METHODS; PERTURBATION TECHNIQUES; PHASE TRANSITIONS; POLYSACCHARIDES; PROBABILITY DENSITY FUNCTION; WATER;

ANOMERIC FREE ENERGY; MANNOSE; POTENTIAL OF MEAN FORCE;

FREE ENERGY;

EID: 0031077912     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp962437s     Document Type: Review

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