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Minimum Free Energy Path of Ligand-Induced Transition in Adenylate Kinase
Large-scale conformational changes in proteins involve barrier-crossing transitions on the complex free energy surfaces of high-dimensional space. Such rare events cannot be efficiently captured by conventional molecular dynamics simulations. Here we show that, by combining the on-the-fly string met...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2012
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3369945/ https://www.ncbi.nlm.nih.gov/pubmed/22685395 http://dx.doi.org/10.1371/journal.pcbi.1002555 |