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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Bibliografski detalji
Glavni autori: Gangupomu, Vamshi K., Wagner, Jeffrey R., Park, In-Hee, Jain, Abhinandan, Vaidehi, Nagarajan
Format: Artigo
Jezik:Inglês
Izdano: The Biophysical Society 2013
Teme:
Proteins and Nucleic Acids
Online pristup: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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