Caricamento...
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...
Salvato in:
| Autori principali: | , , , , , |
|---|---|
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
Public Library of Science
2012
|
| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3369945/ https://ncbi.nlm.nih.gov/pubmed/22685395 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1002555 |
| Tags: |
Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne! !
|