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Protein-ligand binding affinity prediction based on profiles of intermolecular contacts
As a key element in structure-based drug design, binding affinity prediction (BAP) for putative protein-ligand complexes can be efficiently achieved by the incorporation of structural descriptors and machine-learning models. However, developing concise descriptors that will lead to accurate and inte...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Research Network of Computational and Structural Biotechnology
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8902473/ https://www.ncbi.nlm.nih.gov/pubmed/35317230 http://dx.doi.org/10.1016/j.csbj.2022.02.004 |