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Mapping Conformational Dynamics of Proteins Using Torsional Dynamics Simulations
All-atom molecular dynamics simulations are widely used to study the flexibility of protein conformations. However, enhanced sampling techniques are required for simulating protein dynamics that occur on the millisecond timescale. In this work, we show that torsional molecular dynamics simulations e...
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Biophysical Society
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3647154/ https://ncbi.nlm.nih.gov/pubmed/23663843 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2013.01.050 |
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