Autor: "Ali HS" - OpacWWW - Prolib Integro

Skocz do pozycji: 1.

Tytuł:: Energy-entropy method using multiscale cell correlation to calculate binding free energies in the SAMPL8 host-guest challenge.
Autorzy:: Ali HS; Manchester Institute of Biotechnology, The University of Manchester, 131 Princess Street, Manchester, M1 7DN, UK.; Department of Chemistry, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK.
Chakravorty A; Department of Chemistry, University of Michigan, Ann Arbor, MI, 48109, USA.
Kalayan J; Manchester Institute of Biotechnology, The University of Manchester, 131 Princess Street, Manchester, M1 7DN, UK.; Department of Chemistry, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK.
de Visser SP; Manchester Institute of Biotechnology, The University of Manchester, 131 Princess Street, Manchester, M1 7DN, UK.; Department of Chemical Engineering and Analytical Science, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK.
Henchman RH; Manchester Institute of Biotechnology, The University of Manchester, 131 Princess Street, Manchester, M1 7DN, UK. .; Department of Chemistry, The University of Manchester, Oxford Road, Manchester, M13 9PL, UK. .; Sydney Medical School, The University of Sydney, Sydney, NSW, 2006, Australia. .; Pokaż więcej
Źródło:: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2021 Aug; Vol. 35 (8), pp. 911-921. Date of Electronic Publication: 2021 Jul 15.
Typ publikacji:: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't
MeSH Terms:: Entropy*
Models, Statistical*
Molecular Dynamics Simulation*
Proteins/*chemistry
Proteins/*metabolism
Humans ; Ligands ; Models, Chemical ; Physical Phenomena ; Protein Binding ; Thermodynamics

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