Lean-Docking: Exploiting Ligands’ Predicted Docking Scores to Accelerate Molecular Docking-Reference-Cited by-同舟云学术

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Lean-Docking: Exploiting Ligands’ Predicted Docking Scores to Accelerate Molecular Docking

Published:2021-04-16 Issue:5 Volume:61 Page:2341-2352
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Berenger Francois¹^ORCID,Kumar Ashutosh²^ORCID,Zhang Kam Y. J.²^ORCID,Yamanishi Yoshihiro¹

Affiliation:

1. Department of Bioscience and Bioinformatics, Faculty of Computer Science and Systems Engineering, Kyushu Institute of Technology, 680-4 Kawazu, Iizuka 820-8502, Japan

2. Laboratory for Structural Bioinformatics, Center for Biosystems Dynamics Research, RIKEN, 1-7-22 Suehiro-cho, Tsurumi-ku, Yokohama, Kanagawa 230-0045, Japan

Funder

Accelerated Innovation Research Initiative Turning Top Science and Ideas into High-Impact Values

Japan Society for the Promotion of Science

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.0c01452

Reference72 articles.

1. Challenges and advances in computational docking: 2009 in review

2. Latest developments in molecular docking: 2010-2011 in review

3. Improvements, trends, and new ideas in molecular docking: 2012-2013 in review

4. Docking Screens for Novel Ligands Conferring New Biology

5. De novodesign: balancing novelty and confined chemical space

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