Toward accurate relative energy predictions of the bioactive conformation of drugs
Quantifying the relative energy of a ligand in its target-bound state (i.e. the bioactive conformation) is essential to understand the process of molecular recognition, to optimize the potency of bioactive molecules and to increase the accuracy of structure-based drug design methods. This is, nevert...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 30(2009), 4 vom: 15. März, Seite 601-10 |
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| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2009
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article Research Support, Non-U.S. Gov't Pharmaceutical Preparations |
| Online verfügbar |
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