Accounting for Intraligand Interactions in Flexible Ligand Docking with a PMF-Based Scoring Function-Reference-Cited by-同舟云学术

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Accounting for Intraligand Interactions in Flexible Ligand Docking with a PMF-Based Scoring Function

Published:2015-10-08 Issue:10 Volume:55 Page:2121-2137
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Lizunov A. Y.¹²,Gonchar A. L.²,Zaitseva N. I.³,Zosimov V. V.¹

Affiliation:

1. Department of Mathematics, Moscow Institute of Physics and Technology, Moscow 117303, Russia

2. Faculty of Fundamental Medicine, Moscow State University, Moscow 119991, Russia

3. The Faculty of Pharmacy, First Moscow State Medical University, Moscow 119991, Russia

Funder

Russian Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.5b00158

Reference53 articles.

1. Can we trust docking results? Evaluation of seven commonly used programs on PDBbind database

2. A novel approach to local similarity of protein binding sites substantially improves computational drug design results

3. A novel scoring function for molecular docking

4. Advances and Challenges in Protein-Ligand Docking

5. Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes

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