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Case DA, Aktulga HM, Belfon K, Cerutti DS, Cisneros GA, Cruzeiro VWD, Forouzesh N, Giese TJ, Götz AW, Gohlke H, Izadi S, Kasavajhala K, Kaymak MC, King E, Kurtzman T, Lee TS, Li P, Liu J, Luchko T, Luo R, Manathunga M, Machado MR, Nguyen HM, O'Hearn KA, Onufriev AV, Pan F, Pantano S, Qi R, Rahnamoun A, Risheh A, Schott-Verdugo S, Shajan A, Swails J, Wang J, Wei H, Wu X, Wu Y, Zhang S, Zhao S, Zhu Q, Cheatham TE 3rd, Roe DR, Roitberg A, Simmerling C, York DM, Nagan MC, Merz KM Jr. Case DA, et al. Among authors: izadi s. J Chem Inf Model. 2023 Oct 23;63(20):6183-6191. doi: 10.1021/acs.jcim.3c01153. Epub 2023 Oct 8. J Chem Inf Model. 2023. PMID: 37805934 Free PMC article.
Building Water Models: A Different Approach.
Izadi S, Anandakrishnan R, Onufriev AV. Izadi S, et al. J Phys Chem Lett. 2014 Nov 6;5(21):3863-3871. doi: 10.1021/jz501780a. Epub 2014 Oct 16. J Phys Chem Lett. 2014. PMID: 25400877 Free PMC article.
Accuracy limit of rigid 3-point water models.
Izadi S, Onufriev AV. Izadi S, et al. J Chem Phys. 2016 Aug 21;145(7):074501. doi: 10.1063/1.4960175. J Chem Phys. 2016. PMID: 27544113 Free PMC article.
Recently, we introduced a new approach to constructing classical rigid water models [S. Izadi et al., J. Phys. Chem. Lett. 5, 3863 (2014)], which permits a virtually exhaustive search for globally optimal model parameters in the sub-space that is most relevant to th …
Recently, we introduced a new approach to constructing classical rigid water models [S. Izadi et al., J. Phys. Chem. Lett. 5, …
213 results