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Reservoir pH replica exchange
We present the reservoir pH replica exchange (R-pH-REM) method for constant pH simulations. The R-pH-REM method consists of a two-step procedure; the first step involves generation of one or more reservoirs of conformations. Each reservoir is obtained from a standard or enhanced molecular dynamics s...
Αποθηκεύτηκε σε:
| Τόπος έκδοσης: | J Chem Phys |
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| Κύριοι συγγραφείς: | , , , |
| Μορφή: | Artigo |
| Γλώσσα: | Inglês |
| Έκδοση: |
AIP Publishing LLC
2018
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| Θέματα: | |
| Διαθέσιμο Online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6005788/ https://ncbi.nlm.nih.gov/pubmed/30134701 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.5027413 |
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