DLIGAND2: an improved knowledge-based energy function for protein–ligand interactions using the distance-scaled, finite, ideal-gas reference state

Performance of structure-based molecular docking largely depends on the accuracy of scoring functions. One important type of scoring functions are knowledge-based potentials derived from known three-dimensional structures of proteins and/or protein–ligand complex structures. This study seeks to impr...

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Detalles Bibliográficos
Autores principales: Chen, Pin, Ke, Yaobin, Lu, Yutong, Du, Yunfei, Li, Jiahui, Yan, Hui, Zhao, Huiying, Zhou, Yaoqi, Yang, Yuedong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2019
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6686496/
https://www.ncbi.nlm.nih.gov/pubmed/31392430
http://dx.doi.org/10.1186/s13321-019-0373-4

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6686496/
https://www.ncbi.nlm.nih.gov/pubmed/31392430
http://dx.doi.org/10.1186/s13321-019-0373-4

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