Application of a polarizable force field to calculations of relative protein-ligand binding affinities
Khoruzhii, Oleg, Donchev, Alexander G, Galkin, Nikolay, Illarionov, Alexei, Olevanov, Mikhail, Ozrin, Vladimir, Queen, Cary, Tarasov, Vladimir
Published in Proceedings of the National Academy of Sciences - PNAS (29.07.2008)
Published in Proceedings of the National Academy of Sciences - PNAS (29.07.2008)
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Assessment of performance of the general purpose polarizable force field QMPFF3 in condensed phase
Donchev, Alexander G, Galkin, Nikolay G, Illarionov, Alexey A, Khoruzhii, Oleg V, Olevanov, Michael A, Ozrin, Vladimir D, Pereyaslavets, Leonid B, Tarasov, Vladimir I
Published in Journal of computational chemistry (01.06.2008)
Published in Journal of computational chemistry (01.06.2008)
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Journal Article