Learning protein-ligand binding affinity with atomic environment vectors
Scoring functions for the prediction of protein-ligand binding affinity have seen renewed interest in recent years when novel machine learning and deep learning methods started to consistently outperform classical scoring functions. Here we explore the use of atomic environment vectors (AEVs) and fe...
| Main Authors: | , , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
BioMed Central
2021
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