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Refinement of docked protein–ligand and protein–DNA structures using low frequency normal mode amplitude optimization
Prediction of structural changes resulting from complex formation, both in ligands and receptors, is an important and unsolved problem in structural biology. In this work, we use all-atom normal modes calculated with the Elastic Network Model as a basis set to model structural flexibility during for...
| Autores principales: | , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2005
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1183489/ https://www.ncbi.nlm.nih.gov/pubmed/16087736 http://dx.doi.org/10.1093/nar/gki730 |