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Enzyme-Inhibitor Association Thermodynamics: Explicit and Continuum Solvent Studies

Studying the thermodynamics of biochemical association reactions at the microscopic level requires efficient sampling of the configurations of the reactants and solvent as a function of the reaction pathways. In most cases, the associating ligand and receptor have complementary interlocking shapes....

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Hlavní autoři: Resat, Haluk, Marrone, Tami J., McCammon, J. Andrew
Médium: Artigo
Jazyk:Inglês
Vydáno: 1997
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC1185581/
https://ncbi.nlm.nih.gov/pubmed/9017183
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