Učitavanje...
Efficient Atomistic Simulation of Pathways and Calculation of Rate Constants for a Protein–Peptide Binding Process: Application to the MDM2 Protein and an Intrinsically Disordered p53 Peptide
The characterization of protein binding processes — with all of the key conformational changes — has been a grand challenge in the field of biophysics. Here, we have used the weighted ensemble path sampling strategy to orchestrate molecular dynamics simulations, yielding atomistic views of protein–p...
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| Izdano u: | J Phys Chem Lett |
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| Glavni autori: | , , , , , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
2016
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| Teme: | |
| Online pristup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5008990/ https://ncbi.nlm.nih.gov/pubmed/27532687 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.6b01502 |
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