High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators-Reference-Cited by-同舟云学术

High-Quality Dataset of Protein-Bound Ligand Conformations and Its Application to Benchmarking Conformer Ensemble Generators

Published:2017-02-16 Issue:3 Volume:57 Page:529-539
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Friedrich Nils-Ole¹,Meyder Agnes¹,de Bruyn Kops Christina¹^ORCID,Sommer Kai¹,Flachsenberg Florian¹^ORCID,Rarey Matthias¹^ORCID,Kirchmair Johannes¹^ORCID

Affiliation:

1. University of Hamburg, ZBH − Center for Bioinformatics, Bundesstraße 43, Hamburg 20146, 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.6b00613

Reference66 articles.

1. Conformations and 3D pharmacophore searching

2. Frog: a FRee Online druG 3D conformation generator

3. Confab - Systematic generation of diverse low-energy conformers

4. Freely Available Conformer Generation Methods: How Good Are They?

5. Generating Conformer Ensembles Using a Multiobjective Genetic Algorithm

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