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PyPLIF HIPPOS-Assisted Prediction of Molecular Determinants of Ligand Binding to Receptors
Identification of molecular determinants of receptor-ligand binding could significantly increase the quality of structure-based virtual screening protocols. In turn, drug design process, especially the fragment-based approaches, could benefit from the knowledge. Retrospective virtual screening campa...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8122758/ https://www.ncbi.nlm.nih.gov/pubmed/33922338 http://dx.doi.org/10.3390/molecules26092452 |