Self-organizing superimposition algorithm for conformational sampling
A novel self-organizing algorithm for conformational sampling is introduced, in which precomputed conformations of rigid fragments are used as templates to enforce the desired geometry. Starting from completely random coordinates, the algorithm repeatedly superimposes the templates to adjust the pos...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 28(2007), 7 vom: 15. Mai, Seite 1234-9 |
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| Format: | Aufsatz |
| Sprache: | English |
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2007
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article |