Automated Topology Builder Version 3.0: Prediction of Solvation Free Enthalpies in Water and Hexane.

Stroet, Martin; Caron, Bertrand; Visscher, Koen M; Geerke, Daan P; Malde, Alpeshkumar K; Mark, Alan E

Stroet, Martin; Caron, Bertrand; Visscher, Koen M; Geerke, Daan P; Malde, Alpeshkumar K; Mark, Alan E.

Afiliación

Stroet M; School of Chemistry & Molecular Biosciences , University of Queensland , St Lucia , Queensland 4072 , Australia.
Caron B; School of Chemistry & Molecular Biosciences , University of Queensland , St Lucia , Queensland 4072 , Australia.
Visscher KM; AIMMS Division of Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, Faculty of Science , Vrije Universiteit Amsterdam , De Boelelaan 1108 , 1081 HZ Amsterdam , The Netherlands.
Geerke DP; AIMMS Division of Molecular Toxicology, Department of Chemistry and Pharmaceutical Sciences, Faculty of Science , Vrije Universiteit Amsterdam , De Boelelaan 1108 , 1081 HZ Amsterdam , The Netherlands.
Malde AK; School of Chemistry & Molecular Biosciences , University of Queensland , St Lucia , Queensland 4072 , Australia.
Mark AE; School of Chemistry & Molecular Biosciences , University of Queensland , St Lucia , Queensland 4072 , Australia.

J Chem Theory Comput ; 14(11): 5834-5845, 2018 Nov 13.

Article en En | MEDLINE | ID: mdl-30289710

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Prognostic_studies / Risk_factors_studies Idioma: En Revista: J Chem Theory Comput Año: 2018 Tipo del documento: Article País de afiliación: Australia Pais de publicación: Estados Unidos

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