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Titolo:
POTENTIAL OF MEAN FORCES OF SOLUTES IN WATER BY MODIFIED SOLVENT-ACCESSIBLE SURFACE METHOD
Autore:
FUKUNISHI Y; SUZUKI M;
Indirizzi:
NATL INST ADV INTERDISCIPLINARY RES,MECH ENGN LAB,1-1-4 HIGASHI TSUKUBA IBARAKI 305 JAPAN NATL INST ADV INTERDISCIPLINARY RES,MECH ENGN LAB TSUKUBA IBARAKI 305JAPAN
Titolo Testata:
Chemistry Letters
fascicolo: 1, , anno: 1996,
pagine: 29 - 30
SICI:
0366-7022(1996):1<29:POMFOS>2.0.ZU;2-J
Fonte:
ISI
Lingua:
ENG
Soggetto:
HYDRATION;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
6
Recensione:
Indirizzi per estratti:
Citazione:
Y. Fukunishi e M. Suzuki, "POTENTIAL OF MEAN FORCES OF SOLUTES IN WATER BY MODIFIED SOLVENT-ACCESSIBLE SURFACE METHOD", Chemistry Letters, (1), 1996, pp. 29-30

Abstract

We propose an empirical method for evaluating the potential of mean force (p.m.f.) of solutes in water by modifying the solvent-accessible-surface (SAS) method described by Eisenberg et al. In addition to the SAS energy, the energy required to generate an excluded volume betweenadjacent solute molecules and the energy contribution due to coulomb interactions are accounted for in the proposed method. The proposed method was examined on the p.m.fs of methane-methane in water and successfully reproduced the p.m.fs. This method is basically applicable to general molecular interactions, such as protein-protein interactions inwater.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 24/09/20 alle ore 07:23:10