MKGilsonAnnuRevBiophysBiomolStruct2007a
Revision as of 14:45, 18 October 2007 by David Mobley (talk | contribs) (Adding/editing Gilson reference.)
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.