Small Molecule Conformational Preferences Derived from Crystal Structure Data. A Medicinal Chemistry Focused Analysis

By K. Brameld, Bernd Kuhn, D. Reuter, M. Stahl. Journal of Chemical Information and Modeling, 2008

317 citations recorded by the source corpus.

Subfields: Molecular Biology, Organic Chemistry

View Paper: https://www.semanticscholar.org/paper/3d9ca88007073e355aff931ffad89f0c5ed740db

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In Molecular Biology

1. Stephen H. Bryant
2. Sunghwan Kim
3. Evan E. Bolton
4. Vijay S. Pande
5. John Karanicolas
6. Anthony Nicholls

Citations in the corpus

• Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database (2010, methodology): “Small molecule structures from the CSD were obtained from a previously published data set, 18 which was subjected to some of the ligand-centric criteria used to identify suitable PDB ligands.”