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Simulating Force-Induced Conformational Transitions in Polysaccharides with the SMD Replica Exchange Method
Conventional steered molecular dynamics (SMD) simulations do not readily reproduce equilibrium conditions of atomic force microscopy (AFM) stretch and release measurements of polysaccharides undergoing force-induced conformational transitions because of the gap between the timescales of computer sim...
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| Auteurs principaux: | , , , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Biophysical Society
2006
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1557546/ https://ncbi.nlm.nih.gov/pubmed/16829559 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.106.090324 |
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