Constant pH Replica Exchange Molecular Dynamics in Explicit Solvent Using Discrete Protonation States: Implementation, Testing, and Validation
- NSF-PAR ID:
- 10000811
- Publisher / Repository:
- American Chemical Society
- Date Published:
- Journal Name:
- Journal of Chemical Theory and Computation
- Volume:
- 10
- Issue:
- 3
- ISSN:
- 1549-9618
- Page Range / eLocation ID:
- 1341 to 1352
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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