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Towards Effective Consensus Scoring in Structure-Based Virtual Screening
Virtual screening (VS) is a computational strategy that uses in silico automated protein docking inter alia to rank potential ligands, or by extension rank protein–ligand pairs, identifying potential drug candidates. Most docking methods use preferred sets of physicochemical descriptors (PCDs) to mo...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer Nature Singapore
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9941253/ https://www.ncbi.nlm.nih.gov/pubmed/36550341 http://dx.doi.org/10.1007/s12539-022-00546-8 |