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Stochastic boundary conditions for molecular dynamics simulations of ST2 water
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Research works printed but not linked: 17
- Wood, 1976, Ann. Rev. Phys. Chem., 27, 319, 10.1146/annurev.pc.27.100176.001535 · doi:10.1146/annurev.pc.27.100176.001535
- McCammon, 1980, Ann. Rev. Phys. Chem., 31, 29, 10.1146/annurev.pc.31.100180.000333 · doi:10.1146/annurev.pc.31.100180.000333
- Levitt, 1982, Ann. Rev. Biophys. Bioeng., 11, 251, 10.1146/annurev.bb.11.060182.001343 · doi:10.1146/annurev.bb.11.060182.001343
- Karplus, 1983, Ann. Rev. Biochem., 53, 263, 10.1146/annurev.bi.52.070183.001403 · DOI · Paper page
- Robertus, 1979, J. Chem. Phys., 70, 3395, 10.1063/1.437871 · DOI · Paper page
- Adelman, 1982, Phys. Chem., 86, 1511, 10.1021/j100206a011 · doi:10.1021/j100206a011
- McCammon, 1979, Proc. Natl. Acad. Sci. US, 76, 3585, 10.1073/pnas.76.8.3585 · DOI
- Northrup, 1982, Proc. Natl. Acad. Sci. US, 79, 4035, 10.1073/pnas.79.13.4035 · DOI · Paper page
- Berkowitz, 1982, Chem. Phys. Letters, 90, 215, 10.1016/0009-2614(82)80028-6 · DOI · Paper page
- Ciccotti, 1980, J. Stat. Phys., 23, 767, 10.1007/BF01008518 · doi:10.1007/bf01008518
- Tenenbaum, 1982, Phys. Rev., A25, 2778, 10.1103/PhysRevA.25.2778 · DOI · Paper page
- Stillinger, 1974, J. Chem. Phys., 60, 1545, 10.1063/1.1681229 · DOI · Paper page
- Morse, 1982, J. Chem. Phys., 76, 65, 10.1063/1.442717 · DOI · Paper page
- Jorgensen, 1983, J. Chem. Phys., 79, 926, 10.1063/1.445869 · DOI · Paper page
- Matsuoka, 1976, J. Chem. Phys., 64, 1351, 10.1063/1.432402 · DOI · Paper page
- Brooks, 1983, J. Comp. Chem., 4, 187, 10.1002/jcc.540040211 · DOI · Paper page
- van Gunsteren, 1981, Nature, 293, 677, 10.1038/293677a0 · doi:10.1038/293677a0
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Metadata
- Authors
- Brünger, A., Brooks, C. L., & Karplus, M.
- Venue
- Chemical Physics Letters
- Publisher
- Elsevier BV
- Published
- 1984-03
- Volume
- 105
- Issue
- 5
- Pages
- 495-500
- ISSN
- 0009-2614 (ISSN-L)
- OpenAlex
- W2027578254
- Cited by
- 643
- References
- 0
- FWCI
- 4.06
- Type
- journal article
- Language
- en
- Open access
- closed
- Licence
- www.elsevier.com/tdm/userlicense/1.0/ (tdm)
- www.elsevier.com/legal/tdmrep-license (tdm)
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