Benchmarking Commercial Conformer Ensemble Generators-Reference-Cited by-同舟云学术

Benchmarking Commercial Conformer Ensemble Generators

Published:2017-10-18 Issue:11 Volume:57 Page:2719-2728
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

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

Affiliation:

1. Center for Bioinformatics, Universität Hamburg, Bundesstr. 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.7b00505

Reference36 articles.

1. Conformational Sampling of Druglike Molecules with MOE and Catalyst: Implications for Pharmacophore Modeling and Virtual Screening

2. Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database

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

4. CONFECT: Conformations from an Expert Collection of Torsion Patterns

5. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation

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