A consistent description of HYdrogen bond and DEhydration energies in protein–ligand complexes: meth...
A consistent description of HYdrogen bond and DEhydration energies in protein–ligand complexes: methods behind the HYDE scoring function
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Publisher
Dordrecht: Springer Netherlands
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Language
English
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Dordrecht: Springer Netherlands
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Contents
The estimation of free energy of binding is a key problem in structure-based design. We developed the scoring function HYDE based on a consistent description of HYdrogen bond and DEhydration energies in protein–ligand complexes. HYDE is applicable to all types of protein targets since it is not calibrated on experimental binding affinity data or pr...
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Full title
A consistent description of HYdrogen bond and DEhydration energies in protein–ligand complexes: methods behind the HYDE scoring function
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TN_cdi_proquest_miscellaneous_1323221586
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_miscellaneous_1323221586
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ISSN
0920-654X
E-ISSN
1573-4951
DOI
10.1007/s10822-012-9626-2
