Prediction of binding constants of protein ligands: A fast method for the prioritization of hits obtained from de novo design or 3D database search programs
- 1 January 1998
- journal article
- review article
- Published by Springer Nature in Journal of Computer-Aided Molecular Design
- Vol. 12 (4), 309
- https://doi.org/10.1023/a:1007999920146
Abstract
A dataset of 82 protein–ligand complexes of known 3D structure and binding constant Kiwas analysed to elucidate the important factors that determine the strength of protein–ligand interactions. The...Keywords
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