A Consistent Scheme for Gradient-Based Optimization of Protein–Ligand Poses-Reference-Cited by-同舟云学术

A Consistent Scheme for Gradient-Based Optimization of Protein–Ligand Poses

Published:2020-12-01 Issue:12 Volume:60 Page:6502-6522
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Flachsenberg Florian¹^ORCID,Meyder Agnes¹^ORCID,Sommer Kai¹^ORCID,Penner Patrick¹^ORCID,Rarey Matthias¹^ORCID

Affiliation:

1. ZBH - Center for Bioinformatics, Universität Hamburg, Bundesstraβe 43, 20146 Hamburg, Germany

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.0c01095

Reference100 articles.

1. Scoring functions and their evaluation methods for protein–ligand docking: recent advances and future directions

2. Kolodzik, A.; Schneider, N.; Rarey, M. In Applied Chemoinformatics; Engel, T., Gasteiger, J., Eds. John Wiley & Sons, Ltd: Weinheim, 2018; Chapter 6.8, pp. 313–331.

3. An ant colony optimization approach to flexible protein–ligand docking

4. Empirical Scoring Functions for Advanced Protein−Ligand Docking with PLANTS

5. AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

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