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Lu J, Qiu Y, Baron R, Molinero V.Lu J, et al. Among authors: molinero v.J Chem Theory Comput. 2014 Sep 9;10(9):4104-20. doi: 10.1021/ct500487h. Epub 2014 Aug 1.J Chem Theory Comput. 2014.PMID: 26588552
A coarse-grained model of NaCl in water is presented where the ions are modeled without charge to avoid computationally challenging electrostatics. A monatomic model of water [V. Molinero and E. B. Moore, J. Phys. Chem. B 113, 4008 (2009)] is used as the basis for t …
A coarse-grained model of NaCl in water is presented where the ions are modeled without charge to avoid computationally challenging electros …
Qiu Y, Molinero V.Qiu Y, et al. Among authors: molinero v.J Am Chem Soc. 2015 Aug 26;137(33):10642-51. doi: 10.1021/jacs.5b05579. Epub 2015 Aug 13.J Am Chem Soc. 2015.PMID: 26230969
Baron R, Molinero V.Baron R, et al. Among authors: molinero v.J Chem Theory Comput. 2012 Oct 9;8(10):3696-704. doi: 10.1021/ct300121r. Epub 2012 Jun 14.J Chem Theory Comput. 2012.PMID: 26593014
Perez Sirkin YA, Factorovich MH, Molinero V, Scherlis DA.Perez Sirkin YA, et al. Among authors: molinero v.J Chem Theory Comput. 2016 Jun 14;12(6):2942-9. doi: 10.1021/acs.jctc.6b00291. Epub 2016 Jun 6.J Chem Theory Comput. 2016.PMID: 27196963
Lu J, Jacobson LC, Perez Sirkin YA, Molinero V.Lu J, et al. Among authors: molinero v.J Chem Theory Comput. 2017 Jan 10;13(1):245-264. doi: 10.1021/acs.jctc.6b00874. Epub 2016 Dec 7.J Chem Theory Comput. 2017.PMID: 28068769
Qiu Y, Odendahl N, Hudait A, Mason R, Bertram AK, Paesani F, DeMott PJ, Molinero V.Qiu Y, et al. Among authors: molinero v.J Am Chem Soc. 2017 Mar 1;139(8):3052-3064. doi: 10.1021/jacs.6b12210. Epub 2017 Feb 14.J Am Chem Soc. 2017.PMID: 28135412