A consistent description of HYdrogen bond and DEhydration energies in protein–ligand complexes: methods behind the HYDE scoring function

Journal of Computer-Aided Molecular Design - Tập 27 Số 1 - Trang 15-29 - 2013
Nadine Schneider1, Gudrun Lange2, Sally Hindle3, Robert J. Klein2, Matthias Rarey1
1Center for Bioinformatics, University of Hamburg, Hamburg, Germany
2Bayer CropScience AG, Industriepark Hoechst, G836, Frankfurt am Main, Germany
3BioSolveIT GmbH, St. Augustin, Germany

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