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Journal of Molecular Modeling|February 25, 2018
Interaction of drugs amlodipine and paroxetine with the metabolizing enzyme CYP2B4: a molecular dynamics simulation studyAbbas Yousefpour, Hamid Modarress, Fatemeh Goharpey, et al.Journal of Molecular Modeling|February 26, 2018
Theoretical study on p-type D-π-A sensitizers with modified π-spacers for dye-sensitized solar cellsWen Yan, Kadali Chaitanya, Zhi-Dan Sun, et al.Journal of Molecular Modeling|March 21, 2018
Theoretical investigation of the structures and properties of CL-20/DNB cocrystal and associated PBXs by molecular dynamics simulationGui-Yun Hang, Wen-Li Yu, Tao Wang, et al.Journal of Molecular Modeling|March 21, 2018
Exploration of selected electronic characteristics of half-sandwich organoruthenium(II) β-diketonate complexesZuzana Sochorová Vokáčová, Iztok Turel, Jaroslav V BurdaJournal of Molecular Modeling|February 18, 2018
Theoretical study on the optical response behavior to hydrogen chloride gas of a series of Schiff-base-based star-shaped structuresFei Wang, Tianhong Qi, Zhongmin Su, et al.Journal of Molecular Modeling|March 8, 2018
AFD: an application for bi-molecular interaction using axial frequency distributionSaad Raza, Syed Sikander AzamJournal of Molecular Modeling|February 22, 2018
Theoretical study of the NMR chemical shift of Xe in supercritical conditionEvanildo G Lacerda, Stephan P A Sauer, Kurt V Mikkelsen, et al.Journal of Molecular Modeling|July 16, 2017
Thermodynamic DFT analysis of natural gasAbel F G Neto, Muhammad N Huda, Francisco C Marques, et al.Journal of Molecular Modeling|June 19, 2016
Fullerenes and their derivatives as inhibitors of tumor necrosis factor-α with highly promoted affinitiesGaoyin Wu, Xuejiao J Gao, Joonkyung Jang, et al.Journal of Molecular Modeling|August 19, 2017
Theoretical analysis of C-F bond cleavage mediated by cob[I]alamin-based structuresD Cortés-Arriagada, A Toro-Labbe, J R Mora, et al.Pageof 697