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Journal of Molecular Graphics & Modelling|July 26, 2021
Disulfide-stapled design of α-helical bundles to target the trimer-of-hairpins motif of human respiratory syncytial virus fusion proteinXinrong Zhuang, Xuefeng Shen, Wensi Niu, et al.Journal of Molecular Graphics & Modelling|July 29, 2021
Sorption studies of sulfadimethoxine and tetracycline molecules on β-antimonene nanotube - A first-principles insightV Nagarajan, R ChandiramouliJournal of Molecular Graphics & Modelling|November 3, 2018
Formation of CO2 bubbles in epoxy resin coatings: A DFT studyYao-Bing Yin, Qiu-Sheng Yang, Shu-Ling Wang, et al.Journal of Molecular Graphics & Modelling|November 11, 2018
Improved regression model to predict an impact of SOD1 mutations on ALS patients survival time based on analysis of hydrogen bond stabilityNikolay A Alemasov, Nikita V Ivanisenko, Bhupesh Taneja, et al.Journal of Molecular Graphics & Modelling|October 26, 2018
A theoretical investigation on the thermally activated delayed fluorescence characteristics of the isomers of DTCBPyJun-Ling Jin, Ying Gao, Yun GengJournal of Molecular Graphics & Modelling|October 22, 2018
Computational investigation of the antagonism effect towards GluN2B-Containing NMDA receptor: Combined ligand-based and target-based approachChao Ma, Baichun Hu, Linkui Zhang, et al.Journal of Molecular Graphics & Modelling|November 13, 2016
Glucose derivatives substitution and cyclic peptide diameter effects on the stability of the self-assembled cyclic peptide nanotubes; a joint QM/MD studyMohammad Khavani, Mohammad Izadyar, Mohammad Reza HousaindokhtJournal of Molecular Graphics & Modelling|November 14, 2016
Structural and water diffusion of poly(acryl amide)/poly(vinyl alcohol) blend films: Experiment and molecular dynamics simulationsYanen Wang, Qinghua Wei, Shuzhi Wang, et al.Journal of Molecular Graphics & Modelling|November 19, 2016
Comprehensive comparison of twenty structural characterization scales applied as QSAM of antimicrobial dodecapeptides derived from Bac2A against P. aeruginosaYu Qian, Ya'nan Liang, Wanqian Liu, et al.Journal of Molecular Graphics & Modelling|November 16, 2016
Molecular docking and molecular dynamics simulation analyses of urea with ammoniated and ammoxidized ligninWenzhuo Li, Song Zhang, Yingying Zhao, et al.Pageof 408