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Journal of Molecular Graphics & Modelling|November 3, 2018
The effects of two-dimensional TiSe2 on the thermoelectric, electronic and optical response of Yb14MnSb11/AlSb9Yb11 heterostructures - A theoretical studyEphraim Muriithi Kiarii, Krishna Kuben Govender, Messai Adenew Mamo, et al.Journal of Molecular Graphics & Modelling|November 3, 2018
The effect of different alcohols on the Asp23-Lys28 and Asp23-Ala42 salt bridges of the most effective peptide in Alzheimer's disease: Molecular dynamics viewpointsFarnaz Jahanbin, Mohammad Reza Bozorgmehr, Ali Morsali, et al.Journal of Molecular Graphics & Modelling|November 12, 2018
A systematic ab initio optimization of monohydrates of HCl•HNO3•H2SO4 aggregatesMarian VerdesJournal of Molecular Graphics & Modelling|March 29, 2017
Performance of a docking/molecular dynamics protocol for virtual screening of nutlin-class inhibitors of MdmxNagakumar Bharatham, Kristin E Finch, Jaeki Min, et al.Journal of Molecular Graphics & Modelling|April 3, 2017
Application of the fragment molecular orbital method analysis to fragment-based drug discovery of BET (bromodomain and extra-terminal proteins) inhibitorsMotoyasu Ozawa, Tomonaga Ozawa, Kazuyoshi UedaJournal of Molecular Graphics & Modelling|November 16, 2018
Effects of conjugation metabolism on radical scavenging and transport properties of quercetin - In silico studyVišnja Stepanić, Sara Matić, Ana Amić, et al.Journal of Molecular Graphics & Modelling|September 23, 2019
Simulation and computer modeling of asphaltene in different solvents on oil-water interfaces using a molecular dynamic methodologyJing Yuan, Maria Elektorowicz, Zhi Chen, et al.Journal of Molecular Graphics & Modelling|July 26, 2019
Elastic, electronic, chemical bonding and thermodynamic properties of the ternary nitride Ca4TiN4: Ab initio predictionsS Boucenna, K Haddadi, A Bouhemadou, et al.Journal of Molecular Graphics & Modelling|February 5, 2008
Three-dimensional holographic vector of atomic interaction field for quantitative structure-activity relationship of Aza-bioisosteres of anthrapyrazoles (Aza-APs)Xu Luo-nan, Liang Gui-Zhao, Li Zhi-liang, et al.Journal of Molecular Graphics & Modelling|March 14, 2008
Feature-preserving adaptive mesh generation for molecular shape modeling and simulationZeyun Yu, Michael J Holst, Yuhui Cheng, et al.Pageof 400