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Journal of Molecular Modeling|February 9, 2019
Molecular modeling and experimental study of a new peptide-based microextraction fiber for preconcentrating morphine in urine samplesBamdad Riahi-Zanjani, Mahdi Balali-Mood, Zarrin Es'haghi, et al.Journal of Molecular Modeling|February 10, 2019
Spin polarization in graphene nanoribbons functionalized with nitroxideVitaly Morozov, Evgeny TretyakovJournal of Molecular Modeling|January 9, 2019
Proton disorder and elasticity of hexagonal ice and gas hydratesSergey V Gudkovskikh, Mikhail V KirovJournal of Molecular Modeling|January 9, 2019
Learning the initial mechanical response of composite material: structure evolution and energy profile of a plastic bonded explosive under rapid loadingLinyuan Wang, Kai Zhong, Jie Ma, et al.Journal of Molecular Modeling|February 14, 2019
Donor-acceptor symmetric and antisymmetric tunneling matrix elements: a pathway model investigation of protein electron transferP C P de Andrade, J C O GuerraJournal of Molecular Modeling|January 5, 2019
Mechanistic study on the intramolecular oxa-[4 + 2] cycloaddition of substituted o-divinylbenzenesXingHui ZhangJournal of Molecular Modeling|March 16, 2018
Ab initio study of polar and non-polar aprotic solvents effects on some 3-hydroxychromones and 3-hydroxyquinolones derivativesGérard A Ndongo, Marthe O Boyomo, Pierre A OwonoJournal of Molecular Modeling|December 1, 2018
Binding of histamine to the H1 receptor-a molecular dynamics studyChristian A Söldner, Anselm H C Horn, Heinrich StichtJournal of Molecular Modeling|November 13, 2019
Theoretical design of novel high energy metal complexes based on two complementary oxygen-rich mixed ligands of 4-amino-4H-1,2,4-triazole-3,5-diol and 1,1'-dinitramino-5,5'-bistetrazoleGaojie Yan, Qiong Wu, Qinnan Hu, et al.Journal of Molecular Modeling|January 19, 2020
Asymmetric ligand binding in homodimeric Enterobacter cloacae nitroreductase yields the Michaelis complex for nitroaromatic substratesAndrew J ChristoffersonPageof 695