Potential of mean force calculation of solute molecules in water by a modified solvent-accessible surface method

Journal of Computational Chemistry

Volumn 18, Issue 13, 1997, Pages 1656-1663

  Fukunishi, Yoshifumi ^a   Suzuki, Makoto ^b,c  

^a RUTGERS UNIVERSITY   (United States)

^b TOHOKU UNIVERSITY   (Japan)

^c NATL INST FOR ADV INTERDISC RES   (Japan)

Author keywords

Activation energy; Crown ether; Potential of mean force; Solvent accessible surface method; Void energy

Indexed keywords

EID: 0001313268     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199710)18:13<1656::AID-JCC7>3.0.CO;2-Q     Document Type: Article

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