Difference between revisions of "MKGilsonAnnuRevBiophysBiomolStruct2007a"
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{{Reference | first author = M. K. Gilson | authors = M. K. Gilison, H. Zhou| group = Gilson Group | year = 2007 | volume = 36 | pages = 21-42 | doi = 10.1146/annurev.biophys.36.040306.132550 | title = Calculation of Protein-Ligand Binding Affinities | journal = Annu. Rev. Biophys. Biomol. Struct.}} | {{Reference | first author = M. K. Gilson | authors = M. K. Gilison, H. Zhou| group = Gilson Group | year = 2007 | volume = 36 | pages = 21-42 | doi = 10.1146/annurev.biophys.36.040306.132550 | title = Calculation of Protein-Ligand Binding Affinities | journal = Annu. Rev. Biophys. Biomol. Struct.}} | ||
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| + | This is a nice quick overview of basically what force field-based simulations do, how they can be used to study binding, and a quick survey of some of the relevant methods and key papers. It even includes some theoretical foundation in terms of equations connecting the different approaches, and includes remarks on alchemical methods, docking, MM-PBSA, and others. | ||
[[Category:Free Energy Reviews]] | [[Category:Free Energy Reviews]] | ||
Latest revision as of 14:45, 18 October 2007
M. K. Gilison, H. Zhou.
"Calculation of Protein-Ligand Binding Affinities".
Annu. Rev. Biophys. Biomol. Struct.,
36:
21-42
(2007)
DOI
This is a nice quick overview of basically what force field-based simulations do, how they can be used to study binding, and a quick survey of some of the relevant methods and key papers. It even includes some theoretical foundation in terms of equations connecting the different approaches, and includes remarks on alchemical methods, docking, MM-PBSA, and others.