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Journal of Molecular Graphics & Modelling|December 28, 2019
A DFT study of Janus structure of S and Se in HfSSe layered as a promising candidate for electronic devicesM Barhoumi, K Lazaar, S Bouzidi, et al.Journal of Molecular Graphics & Modelling|February 27, 2020
Separation of methane from ethane and propane by selective adsorption and diffusion in MOF Cu-BTC: A molecular simulation studyYadava Krishnan Ponraj, Bhaskarjyoti BorahJournal of Molecular Graphics & Modelling|March 21, 2020
Validation of ligands targeting metacaspase-2 (MCA2) from Trypanosoma brucei brucei and their application to MCA5 from T. congolense as possible trypanocidesL E-A Eyssen, Theresa Ht CoetzerJournal of Molecular Graphics & Modelling|March 22, 2020
Prediction of the potential biological activity of novel spiropyrazolo[3,4-b]pyridines and spiropyrazolo[3,4-b]pyridine-5,5'-pyrimidines by a ligand-protein inverse-docking approachM Mejía-Gutiérrez, J Olivero-Verbel, J Quiroga, et al.Journal of Molecular Graphics & Modelling|March 23, 2020
Solvation of lithium ion in helium clusters: Structural properties and relative stabilitiesMouna Ben Hadj Ayed, Houcine GhallaJournal of Molecular Graphics & Modelling|March 23, 2020
Selectivity in the flotation of copper with xanthate over other ions present in wastewater: An experimental and computational studyAlexis Otero-Calvis, Beatriz Ramírez-Serrano, Alfredo Coello-VelázquezJournal of Molecular Graphics & Modelling|March 23, 2020
Hexene hydrogenation catalysed by the complex monohydrid complexes: A DFT study of associated vs dissociated pathwaysSofiene Achour, Zied Hosni, Bahoueddine TangourJournal of Molecular Graphics & Modelling|March 18, 2020
Visualising 2-simplex formation in metabolic reactionsMarco Piangerelli, Stefano Maestri, Emanuela MerelliJournal of Molecular Graphics & Modelling|December 12, 2018
Molecular docking, molecular dynamics simulations and QSAR studies on some of 2-arylethenylquinoline derivatives for inhibition of Alzheimer's amyloid-beta aggregation: Insight into mechanism of interactions and parameters for design of new inhibitorsHossein Safarizadeh, Zahra Garkani-NejadJournal of Molecular Graphics & Modelling|December 1, 2019
Investigating molecular mechanism for the stability of ternary systems containing cetrimide, fatty alcohol and water by using computer simulationHoang Dang Vu, Hung Huu Tran, Cao Phuong Cong, et al.Pageof 400