DOX: A new computational protocol for accurate prediction of the protein-ligand binding structures-Reference-Cited by-同舟云学术

DOX: A new computational protocol for accurate prediction of the protein-ligand binding structures

Published:2015-10-13 Issue:3 Volume:37 Page:336-344
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Rao Li¹,Chi Bo¹,Ren Yanliang¹,Li Yongjian¹,Xu Xin²,Wan Jian¹

Affiliation:

1. Key Laboratory of Pesticide & Chemical Biology (CCNU), Ministry of Education, Department of Chemistry, Central China Normal University; Wuhan 430079 People's Republic of China

2. Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Ministry of Education (MOE) Laboratory for Computational Physical Science, Department of Chemistry, Fudan University; Shanghai 200433 People's Republic of China

Funder

Natural Science Foundation of China

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference42 articles.

1. The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure

2. LigScore: a novel scoring function for predicting binding affinities

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