Accurate calculation of the hydration free energies of biologically active molecules using the reference interaction site model

Palmer, David and Ratkova, Ekaterina L. and Frolov, Andrey I. and Sergiievskyi, Volodymyr P. and Fedorov, Maxim V. (2011) Accurate calculation of the hydration free energies of biologically active molecules using the reference interaction site model. Abstracts of papers - American Chemical Society, 241. -. ISSN 0065-7727

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Abstract

Describes the accurate calculation of the hydration free energies of biologically active molecules using the reference interaction site model.

Author(s):Palmer, David, Ratkova, Ekaterina L., Frolov, Andrey I., Sergiievskyi, Volodymyr P. and Fedorov, Maxim V.
Item type:Article
ID code:36369
Keywords:hydration free energies , reference interaction site model, Solid state physics. Nanoscience, Chemistry(all)
Subjects:Science > Physics > Solid state physics. Nanoscience
Department:Faculty of Science > Physics
Technology and Innovation Centre > Bionanotechnology
Depositing user: Pure Administrator
Date deposited:08 Dec 2011 11:04
Last modified:18 Jun 2019 00:15
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URI:https://strathprints.strath.ac.uk/id/eprint/36369
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