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Evaluation of Enhanced Sampling Provided by Accelerated Molecular Dynamics with Hamiltonian Replica Exchange Methods
[Image: see text] Many problems studied via molecular dynamics require accurate estimates of various thermodynamic properties, such as the free energies of different states of a system, which in turn requires well-converged sampling of the ensemble of possible structures. Enhanced sampling technique...
সংরক্ষণ করুন:
| প্রধান লেখক: | , , |
|---|---|
| বিন্যাস: | Artigo |
| ভাষা: | Inglês |
| প্রকাশিত: |
American Chemical
Society
2014
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| অনলাইন ব্যবহার করুন: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3983400/ https://ncbi.nlm.nih.gov/pubmed/24625009 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp4125099 |
| ট্যাগগুলো: |
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