A distance geometry heuristic for expanding the range of geometries sampled during conformational search
A recent study of crystal structures of protein-ligand complexes has shown that bioactive conformations tend to be more extended than random ones (Diller and Merz, J. Comput. Aid. Mol. Des. 2002, 16, 105-112). Existing conformational sampling techniques produce molecular conformations with a distrib...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 27(2006), 16 vom: 13. Dez., Seite 1962-9 |
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| Weitere Verfasser: | , |
| Format: | Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2006
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article Ligands Proteins |