Molecular simulation with variable protonation states at constant pH

Journal of Chemical Physics

Volumn 126, Issue 16, 2007, Pages

  Stern, Harry A ^a  

^a UNIVERSITY OF ROCHESTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONTINUUM SOLVATION MODELS; MOLECULAR SIMULATION; PH SIMULATION;

CONFORMATIONS; HYDROGEN BONDS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PH EFFECTS; POTENTIAL ENERGY;

PROTONATION;

EID: 34247591986     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2731781     Document Type: Article

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