Free energies of transfer of Trp analogs from chloroform to water: Comparison of theory and experiment and the importance of adequate treatment of electrostatic and internal interactions

Journal of the American Chemical Society

Volumn 118, Issue 26, 1996, Pages 6285-6294

  Daura, Xavier ^a   Hünenberger, Philippe H ^b   Mark, Alan E ^b   Querol, Enrique ^a   Avilés, Francesc X ^a   Van Gunsteren, Wilfred F ^b  

^a UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^b ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CHLOROFORM; INDOLE DERIVATIVE; TRYPTOPHAN;

ARTICLE; MODEL; MOLECULAR DYNAMICS; PARTITION COEFFICIENT; THEORY;

EID: 0030062224     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9537944     Document Type: Article

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