Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes
- 1 January 1997
- journal article
- Published by Springer Nature in Journal of Computer-Aided Molecular Design
- Vol. 11 (5), 425-445
- https://doi.org/10.1023/a:1007996124545
Abstract
This paper describes the development of a simple empirical scoringfunction designed to estimate the free energy of binding for aprotein–ligand complex when the 3D structure of the complex is knownor...Keywords
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