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An improved relaxed complex scheme for receptor flexibility in computer-aided drug design
The interactions among associating (macro)molecules are dynamic, which adds to the complexity of molecular recognition. While ligand flexibility is well accounted for in computational drug design, the effective inclusion of receptor flexibility remains an important challenge. The relaxed complex sch...
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| Main Authors: | , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Springer Netherlands
2008
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2516539/ https://ncbi.nlm.nih.gov/pubmed/18196463 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-007-9159-2 |
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