Empirical scoring functions. II. The testing of an empirical scoring function for the prediction of ligand-receptor binding affinities and the use of Bayesian regression to improve the quality of the model
- 1 January 1998
- journal article
- Published by Springer Nature in Journal of Computer-Aided Molecular Design
- Vol. 12 (5), 503-519
- https://doi.org/10.1023/a:1008040323669
Abstract
This paper tests the performance of a simple empirical scoring function on a set of candidate designs produced by a de novo design package. The scoring function calculates approximate ligand-receptor...Keywords
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