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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Bibliographic Details
Published in:J Cheminform
Main Authors: Chen, Pin, Ke, Yaobin, Lu, Yutong, Du, Yunfei, Li, Jiahui, Yan, Hui, Zhao, Huiying, Zhou, Yaoqi, Yang, Yuedong
Format: Artigo
Language:Inglês
Published: Springer International Publishing 2019
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Research Article
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC6686496/
https://ncbi.nlm.nih.gov/pubmed/31392430
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-019-0373-4
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