RASPD+: Fast Protein-Ligand Binding Free Energy Prediction Using Simplified Physicochemical Features

The virtual screening of large numbers of compounds against target protein binding sites has become an integral component of drug discovery workflows. This screening is often done by computationally docking ligands into a protein binding site of interest, but this has the drawback of a large number...

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Detalles Bibliográficos
Autores principales: Holderbach, Stefan, Adam, Lukas, Jayaram, B., Wade, Rebecca C., Mukherjee, Goutam
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2020
Materias:
Molecular Biosciences
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7773945/
https://www.ncbi.nlm.nih.gov/pubmed/33392260
http://dx.doi.org/10.3389/fmolb.2020.601065

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7773945/
https://www.ncbi.nlm.nih.gov/pubmed/33392260
http://dx.doi.org/10.3389/fmolb.2020.601065

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