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Journal of Molecular Graphics & Modelling|June 7, 2017
Exploring the potential of boron-doped nanographene as efficient charge transport and nonlinear optical material: A first-principles studyAhmad Irfan, Aijaz Rasool Chaudhry, Shabbir Muhammad, et al.Journal of Molecular Graphics & Modelling|February 27, 2010
Molecular basis of the structural stability of a Top7-based scaffold at extreme pH and temperature conditionsThereza A Soares, Curt B Boschek, David Apiyo, et al.Journal of Molecular Graphics & Modelling|May 6, 2018
Analysis of the influence of simulation parameters on biomolecule-linked water networksNorbert Jeszenői, Gabriella Schilli, Mónika Bálint, et al.Journal of Molecular Graphics & Modelling|June 18, 2018
Insights into the structural features and stability of peptide nucleic acid with a D-prolyl-2-aminocyclopentane carboxylic acid backbone that binds to DNA and RNANattawee Poomsuk, Tirayut Vilaivan, Khatcharin SiriwongJournal of Molecular Graphics & Modelling|August 5, 2018
Activation mechanism of hydrogen peroxide by a divanadium-substituted polyoxometalate [γ-PV2W10O38(μ-OH)2]3-: A computational studyChun-Guang Liu, Yun-Jie ChuJournal of Molecular Graphics & Modelling|July 21, 2018
Molecular design of 1,3,5,7-TetraCN derivatives with reduced bioconcentration using 3D-QSAR modeling, full factorial design, and molecular dockingYuanyuan Zhao, Wenwen Gu, Yu LiJournal of Molecular Graphics & Modelling|June 2, 2017
Gauging the performance of some density functionals including dispersion and nonlocal corrections for relative energies of water 20-mersMojtaba AlipourJournal of Molecular Graphics & Modelling|September 9, 2016
A mononuclear non-heme-iron dioxygen-carrying protein?Amr A A Attia, Radu Silaghi-DumitrescuJournal of Molecular Graphics & Modelling|May 19, 2017
The possibility of using C20 fullerene and graphene as semiconductor segments for detection, and destruction of cyanogen-chloride chemical agentParvaneh Pakravan, Seyyed Amir SiadatiJournal of Molecular Graphics & Modelling|May 23, 2017
Electronic properties and gas adsorption behaviour of pristine, silicon-, and boron-doped (8, 0) single-walled carbon nanotube: A first principles studyMohd Asyadi Azam, Farizul Muiz Alias, Liew Weng Tack, et al.Pageof 408