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Analyzing the performance of conformational search programs on compound databases

  • Published:2007-01 Issue:5 Volume:25 Page:700-710
  • ISSN:1093-3263
  • Container-title:Journal of Molecular Graphics and Modelling
  • language:en
  • Short-container-title:Journal of Molecular Graphics and Modelling

Author:

Loferer Markus J.,Kolossváry István,Aszódi András

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference25 articles.

1. Conformational analysis and searching;Schwab,2003

2. Conformational analysis by intersection: CONAN;Smellie;J. Comp. Chem.,2003

3. O. Burkert, N.L. Allinger, Molecular mechanics, ACS Monographs, Washington, 1982.

4. Reproducing the conformations of protein-bound ligands: a critical evaluation of several popular conformational searching tools;Boström;J. Comput.-Aided Mol. Des.,2001

5. Comparison of knowledge-based and distance geometry approaches for generation of molecular conformations;Feuston;J. Chem. Inform. Comput. Sci.,2001

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