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Journal of Molecular Modeling|December 31, 2017
Solvent effect on the degree of (a)synchronicity in polar Diels-Alder reactions from the perspective of the reaction force constant analysisDiana Yepes, Jorge I Martínez-Araya, Pablo JaqueJournal of Molecular Modeling|January 11, 2019
Diels-Alder reactivities of cycloalkenediones with tetrazineBrian J Levandowski, Trevor A Hamlin, Hannah J Eckvahl, et al.Journal of Molecular Modeling|January 11, 2019
Methanol, ethanol, propanol, and butanol adsorption on H-ZSM-5 zeolite: an ONIOM studyRogério J Costa, Elton A S Castro, José R S Politi, et al.Journal of Molecular Modeling|December 7, 2018
Perfluorinated compounds binding to estrogen receptor of different species: a molecular dynamic modelingKaili Qu, Juanjuan Song, Yu Zhu, et al.Journal of Molecular Modeling|January 5, 2019
Electrostatic explanation of D1228V/H/N-induced c-Met resistance and sensitivity to type I and type II kinase inhibitors in targeted gastric cancer therapyZhen Xu, Pingping Hu, Dong Fang, et al.Journal of Molecular Modeling|January 5, 2019
Shedding light on the electronic structure of [Ru(η6-C16H16)(NH3)3]2+ complex: a computational insightRenato P Orenha, Giovanni F Caramori, Alechania Misturini, et al.Journal of Molecular Modeling|December 17, 2018
Molecular dynamics simulation study of the effect of halothane on mixed DPPC/DPPE phospholipid membranesJorge Alfonso Arvayo-Zatarain, Fernando Favela-Rosales, Claudio Contreras-Aburto, et al.Journal of Molecular Modeling|December 19, 2018
A simulation environment for polymeric nanoparticles based on multi-agent systemsAlexandre de O Zamberlan, Guilherme C Kurtz, Tomas L Gomes, et al.Journal of Molecular Modeling|January 4, 2019
Theoretical investigations on structures, stability, energetic performance, sensitivity, and mechanical properties of CL-20/TNT/HMX cocrystal explosives by molecular dynamics simulationGui-Yun Hang, Wen-Li Yu, Tao Wang, et al.Journal of Molecular Modeling|January 6, 2019
Fullerene-like boron nitride cages BxNy (x + y = 28): stabilities and electronic properties from density functional theory computationA Rodríguez Juárez, M Salazar Villanueva, D Cortés-Arriagada, et al.Pageof 708