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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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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Biophysical Society
2006
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| Assuntos: | |
| Acesso em linha: | 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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