A Diverse Benchmark Based on 3D Matched Molecular Pairs for Validating Scoring Functions

[Image: see text] The prediction of protein–ligand interactions and their corresponding binding free energy is a challenging task in structure-based drug design and related applications. Docking and scoring is broadly used to propose the binding mode and underlying interactions as well as to provide...

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Detalles Bibliográficos
Autores principales: Kalinowsky, Lena, Weber, Julia, Balasupramaniam, Shantheya, Baumann, Knut, Proschak, Ewgenij
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641919/
https://www.ncbi.nlm.nih.gov/pubmed/31458770
http://dx.doi.org/10.1021/acsomega.7b01194

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641919/
https://www.ncbi.nlm.nih.gov/pubmed/31458770
http://dx.doi.org/10.1021/acsomega.7b01194

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