Development of a machine-learning model to predict Gibbs free energy of binding for protein-ligand complexes
The possibility of using the atomic coordinates of protein-ligand complexes to assess binding affinity has a beneficial impact in the early stages of drug development and design. From the computational view, the creation of reliable scoring functions is still an open problem in the simulation of bio...
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| Published in: | Biophysical chemistry Vol. 240; pp. 63 - 69 |
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| Main Authors: | , |
| Format: | Journal Article |
| Language: | English |
| Published: |
Netherlands
Elsevier B.V
01.09.2018
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| ISSN: | 0301-4622, 1873-4200, 1873-4200 |
| Online Access: | Get full text |
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