Predictions of Ligand Selectivity from Absolute Binding Free Energy Calculations.

Aldeghi, Matteo; Heifetz, Alexander; Bodkin, Michael J; Knapp, Stefan; Biggin, Philip C

Aldeghi, Matteo; Heifetz, Alexander; Bodkin, Michael J; Knapp, Stefan; Biggin, Philip C.

Afiliación

Aldeghi M; Structural Bioinformatics and Computational Biochemistry, Department of Biochemistry, University of Oxford , South Parks Road, Oxford OX1 3QU, U.K.
Heifetz A; Evotec (U.K.) Ltd. , 114 Innovation Drive, Milton Park, Abingdon, Oxfordshire OX14 4RZ, U.K.
Bodkin MJ; Evotec (U.K.) Ltd. , 114 Innovation Drive, Milton Park, Abingdon, Oxfordshire OX14 4RZ, U.K.
Knapp S; Structural Genomics Consortium, Nuffield Department of Clinical Medicine, University of Oxford , Old Road Campus Research Building, Roosevelt Drive, Oxford OX3 7DQ, U.K.
Biggin PC; Target Discovery Institute, Nuffield Department of Clinical Medicine, University of Oxford , Roosevelt Drive, Oxford OX3 7BN, U.K.

J Am Chem Soc ; 139(2): 946-957, 2017 01 18.

Article en En | MEDLINE | ID: mdl-28009512

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Tipo de estudio: Prognostic_studies / Risk_factors_studies Idioma: En Revista: J Am Chem Soc Año: 2017 Tipo del documento: Article País de afiliación: Reino Unido

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