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Journal of Molecular Modeling|June 13, 2018
How a single 5-methylation of cytosine regulates the recognition of C/EBPβ transcription factor: a molecular dynamic simulation studyLihua Bie, Likai Du, Qiaoxia Yuan, et al.Journal of Molecular Modeling|June 9, 2018
Two different pathways for assembling bis-urea in benzene and tolueneBruno Giordano Alvarenga, Kalil Bernardino, André Farias de Moura, et al.Journal of Molecular Modeling|June 8, 2018
Free energy profile and microkinetic modeling of base-catalyzed conjugate addition reaction of nitroalkanes to α,β-unsaturated ketones in polar and apolar solventsVirginia C Rufino, Stella M Resende, Josefredo R PliegoJournal of Molecular Modeling|June 11, 2018
Theoretical investigations on the structures and properties of CL-20/TNT cocrystal and its defective models by molecular dynamics simulationGui-Yun Hang, Wen-Li Yu, Tao Wang, et al.Journal of Molecular Modeling|June 11, 2018
Chemical sensors based on N-substituted polyaniline derivatives: reactivity and adsorption studies via electronic structure calculationsLarissa O Mandú, Augusto Batagin-NetoJournal of Molecular Modeling|June 11, 2018
Heterogeneous nucleation of polymorphs on polymer surfaces: polymer-molecule interactions using a Coulomb and van der Waals modelNanna Wahlberg, Anders Ø Madsen, Kurt V MikkelsenJournal of Molecular Modeling|June 3, 2018
The effect of carbon-chain oxygenation in the carbon-carbon dissociationLisandra Paulino Dos Santos, Leonardo BaptistaJournal of Molecular Modeling|June 3, 2018
Correlations between the 1H NMR chemical shieldings and the pKa values of organic acids and aminesJuanfeng Lu, Tingting Lu, Xinyun Zhao, et al.Journal of Molecular Modeling|June 6, 2018
A DFT study of the structural and electronic properties of periodic forms of aniline and pyrrole polymers and aniline-pyrrole copolymerManijeh Sardari, Forough Kalantari Fotooh, Mohammad Reza NateghiJournal of Molecular Modeling|June 6, 2018
In silico identification of AChE and PARP-1 dual-targeted inhibitors of Alzheimer's diseaseXia-Min Hu, Wei Dong, Zhi-Wen Cui, et al.Pageof 699