Estimating relative free energies from a single ensemble: Hydration free energies

Journal of Computational Chemistry

Volumn 20, Issue 15, 1999, Pages 1604-1617

  Schäfer, Heiko ^a   Van Gunsteren, Wilfred F ^a   Mark, Alan E ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

Hydration free energies; Relative free energies; Single ensemble; Solvation

Indexed keywords

EID: 0001272783     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19991130)20:15<1604::AID-JCC2>3.0.CO;2-A     Document Type: Article

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