Hamiltonian Switch Metropolis Monte Carlo Simulations for Improved Conformational Sampling of Intrinsically Disordered Regions Tethered to Ordered Domains of Proteins

[Image: see text] There is growing interest in the topic of intrinsically disordered proteins (IDPs). Atomistic Metropolis Monte Carlo (MMC) simulations based on novel implicit solvation models have yielded useful insights regarding sequence-ensemble relationships for IDPs modeled as autonomous unit...

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Detalles Bibliográficos
Autores principales: Mittal, Anuradha, Lyle, Nicholas, Harmon, Tyler S., Pappu, Rohit V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4132852/
https://www.ncbi.nlm.nih.gov/pubmed/25136274
http://dx.doi.org/10.1021/ct5002297

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4132852/
https://www.ncbi.nlm.nih.gov/pubmed/25136274
http://dx.doi.org/10.1021/ct5002297

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