Confab - Systematic generation of diverse low-energy conformers-Reference-Cited by-同舟云学术

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Confab - Systematic generation of diverse low-energy conformers

Published:2011-03-16 Issue:1 Volume:3 Page:
ISSN:1758-2946
Container-title:Journal of Cheminformatics
language:en
Short-container-title:J Cheminform

Author:

O'Boyle Noel M,Vandermeersch Tim,Flynn Christopher J,Maguire Anita R,Hutchison Geoffrey R

Publisher

Springer Science and Business Media LLC

Subject

Library and Information Sciences,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Computer Science Applications

Link

http://link.springer.com/content/pdf/10.1186/1758-2946-3-8.pdf

Reference31 articles.

1. Schwab CH: Conformations and 3D pharmacophore searching. Drug Discov Today Tech. 2010, 7: e245-e253. 10.1016/j.ddtec.2010.10.003.

2. Sadowski J, Gasteiger J, Klebe G: Comparison of Automatic Three-Dimensional Model Builders Using 639 X-Ray Structures. J Chem Inf Comput Sci. 1994, 34 (4): 1000-1008. 10.1021/ci00020a039.

3. Lagorce D, Pencheva T, Villoutreix BO, Miteva MA: DG-AMMOS: A New tool to generate 3D conformation of small molecules using Distance Geometry and Automated Molecular Mechanics Optimization for in silico Screening. BMC Chem Biol. 2009, 9: 6-10.1186/1472-6769-9-6.

4. Gilbert K, Guha R: smi23d. [ http://www.chembiogrid.org/cheminfo/smi23d/ ]

5. Hawkins PCD, Skillman AG, Warren GL, Ellingson BA, Stahl MT: Conformer Generation with OMEGA: Algorithm and Validation using High Quality Structures from the Protein Databank and Cambridge Structural Database. J Chem Inf Model. 2010, 50: 572-584. 10.1021/ci100031x.

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