A reinforcement learning approach for protein–ligand binding pose prediction

Protein ligand docking is an indispensable tool for computational prediction of protein functions and screening drug candidates. Despite significant progress over the past two decades, it is still a challenging problem, characterized by the still limited understanding of the energetics between prote...

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Detalles Bibliográficos
Autores principales: Wang, Chenran, Chen, Yang, Zhang, Yuan, Li, Keqiao, Lin, Menghan, Pan, Feng, Wu, Wei, Zhang, Jinfeng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2022
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9454149/
https://www.ncbi.nlm.nih.gov/pubmed/36076158
http://dx.doi.org/10.1186/s12859-022-04912-7

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