Accurate calculation of the absolute free energy of binding for drug molecules.

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 , UK . Email: philip.biggin@bioch.ox.ac.uk ; ; Tel: +44 (0)1865 613305.
Heifetz A; Evotec (U.K.) Ltd , 114 Innovation Drive, Milton Park , Abingdon , Oxfordshire OX14 4RZ , UK.
Bodkin MJ; Evotec (U.K.) Ltd , 114 Innovation Drive, Milton Park , Abingdon , Oxfordshire OX14 4RZ , UK.
Knapp S; Structural Genomics Consortium , Nuffield Department of Clinical Medicine , University of Oxford , Old Road Campus Research Building, Roosevelt Drive , Oxford OX3 7DQ , UK ; Target Discovery Institute , Nuffield Department of Clinical Medicine , University of Oxford , Roosevelt Drive , Oxford OX3 7B
Biggin PC; Structural Bioinformatics and Computational Biochemistry , Department of Biochemistry , University of Oxford , South Parks Road , Oxford , OX1 3QU , UK . Email: philip.biggin@bioch.ox.ac.uk ; ; Tel: +44 (0)1865 613305.

Chem Sci ; 7(1): 207-218, 2016 Jan 14.

Article en En | MEDLINE | ID: mdl-26798447

Texto completo: 1 Banco de datos: MEDLINE Idioma: En Revista: Chem Sci Año: 2016 Tipo del documento: Article

Texto completo: 1 Banco de datos: MEDLINE Idioma: En Revista: Chem Sci Año: 2016 Tipo del documento: Article