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Journal of Molecular Graphics & Modelling|May 18, 2019
Investigation of benzodiazepines (BZDs) in a DPPC lipid bilayer: Insights from molecular dynamics simulation and DFT calculationsMokhtar Ganjali Koli, Khaled AziziJournal of Molecular Graphics & Modelling|May 20, 2019
The mechanistic role of active site residues in non-stereo haloacid dehalogenase E (DehE)Muhammad Hasanuddin Zainal Abidin, Khairul Bariyyah Abd Halim, Fahrul Huyop, et al.Journal of Molecular Graphics & Modelling|May 20, 2019
Probing the structures, electronic and bonding properties of multidecker lanthanides: Neutral and anionic Lnn(COT)m (Ln = Ce, Nd, Eu, Ho and Yb; n, m = 1, 2) complexesPeng Shao, Li Ping Ding, Dao-Bin Luo, et al.Journal of Molecular Graphics & Modelling|May 26, 2019
New modeling method to simulate asphaltenes at oil sands process in water managementJing Yuan, Lexuan Zhong, Mohammadtaghi Vakili, et al.Journal of Molecular Graphics & Modelling|July 29, 2018
Novel fluorescent antifolates that target folate receptors α and β: Molecular dynamics and density functional theory studyCuihong Wang, Yue Jiang, Meiling Zhang, et al.Journal of Molecular Graphics & Modelling|April 27, 2019
Deciphering the three-domain architecture in schlafens and the structures and roles of human schlafen12 and serpinB12 in transcriptional regulationJiaxing Chen, Leslie A KuhnJournal of Molecular Graphics & Modelling|April 30, 2019
Explaining the interactions between metaldehyde and acidic surface groups of activated carbon under different pH conditionsAnthuan Ferino-Pérez, Juan José Gamboa-Carballo, Zhuojun Li, et al.Journal of Molecular Graphics & Modelling|September 25, 2018
Theoretical study on crystal morphologies of 1,1-diamino-2,2-dinitroethene in solvents: Modified attachment energy model and occupancy modelNing Liu, Cheng Zhou, Zongkai Wu, et al.Journal of Molecular Graphics & Modelling|May 16, 2019
Structural, electronic, optical and thermodynamic properties of AeBi2O6 (Ae = Sr and Ba): Insights from first principles studyD M HoatJournal of Molecular Graphics & Modelling|April 9, 2019
Fe@(Au/Ag)n (n=1,12,54) core-shell nanoparticles as effective drug delivery vehicles for anti-cancer drugs: The computational studyPourseyed Aghaei Fatematossadat, Mahnaz Mohammadi, S Ehsan RoozmehPageof 400