Communication: Accurate hydration free energies at a wide range of temperatures from 3D-RISM

Journal of Chemical Physics

Volumn 142, Issue 9, 2015, Pages

  Misin, Maksim ^a   Fedorov, Maxim V ^a   Palmer, David S ^a  

^a UNIVERSITY OF STRATHCLYDE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; HTTP; HYDRATION; MOLECULAR DYNAMICS;

3D-RISM; EXTENSIVE BENCHMARKING; HYDRATION FREE ENERGIES; INITIAL STATE; MOLECULAR DYNAMICS SIMULATIONS; OPEN SOURCE PACKAGE; ORGANIC MOLECULES; REFERENCE INTERACTION SITE MODELS;

FREE ENERGY;

EID: 84924370389     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4914315     Document Type: Article

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