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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.Journal of Molecular Modeling|February 15, 2018
Structural and functional characterization of the Vindoline biosynthesis pathway enzymes of Catharanthus roseusBilal Ahmad, Anindyajit Banerjee, Harshita Tiwari, et al.Journal of Molecular Modeling|March 4, 2018
Computational redesign of human respiratory syncytial virus epitope as therapeutic peptide vaccines against pediatric pneumoniaXiangxiang Shi, Jun Zheng, Tingting YanJournal of Molecular Modeling|March 5, 2018
Identification of a less toxic vinca alkaloid derivative for use as a chemotherapeutic agent, based on in silico structural insights and metabolic interactions with CYP3A4 and CYP3A5Nikhat Saba, Alpana SealPageof 708