CBSF: A New Empirical Scoring Function for Docking Parameterized by Weights of Neural Network
A new CBSF empirical scoring function for the estimation of binding energies between proteins and small molecules is proposed in this report. The final score is obtained as a sum of three energy terms calculated using descriptors based on a simple counting of the interacting protein-ligand atomic pa...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
De Gruyter
2019-12-01
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| Series: | Computational and Mathematical Biophysics |
| Subjects: | |
| Online Access: | https://doi.org/10.1515/cmb-2019-0009 |