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Journal of Molecular Graphics & Modelling|July 19, 2022
The aggregation of multiple miR-29a cancer biomarkers induced by graphene quantum dots: Molecular dynamics simulationsSaowalak Natmai, Nattapon Kuntip, Deanpen Japrung, et al.Journal of Molecular Graphics & Modelling|April 22, 2022
Combined in silico approach and whole genome sequencing: Acinetobacter baumannii ST218 isolate harboring ADC-73 β-lactamase which has a similar C-loop with ADC-56 and ADC-68 β-lactamaseMelike Gülbüz, Ayşegül Saral SariyerJournal of Molecular Graphics & Modelling|April 23, 2022
Influence of zwitterionic structure design on mixed matrix membrane stability, hydrophilicity, and fouling resistance: A computational studyVu Tan Bui, Amira Abdelrasoul, Dena W McMartinJournal of Molecular Graphics & Modelling|February 17, 2022
Molecular modelling and dynamics simulations of single-wall carbon nanotube as a drug carrier: New insights into the drug-loading processNatalia L von Ranke, Helena Carla Castro, Carlos R RodriguesJournal of Molecular Graphics & Modelling|October 19, 2019
The mechanisms of gallium-catalysed skeletal rearrangement of 1,6-enynes - Insights from quantum mechanical computationsJoseph Bortey Borketey, Ernest Opoku, Richard Tia, et al.Journal of Molecular Graphics & Modelling|May 15, 2018
An experimental and DFT study of the packing and structure of dithenoylmethane monocarbonylphosphine Rhodium(I) complex [Rh((C4H3S)COCHCO(C4H3S))(CO)(PPh3)]Marrigje Marianne Conradie, Petrus H van RooyenJournal of Molecular Graphics & Modelling|December 12, 2023
Designed complexes combining brazilein and brazilin with betanidin for dye-sensitized solar cell application: DFT and TD-DFT studyNyanda Madili Malashi, Yusufu Abeid Chande Jande, Nuha Wazzan, et al.Journal of Molecular Graphics & Modelling|December 10, 2023
Theoretical investigation of electronic, energetic, and mechanical properties of polyvinyl alcohol/cellulose composite hydrogel electrolyteNkechi Elizabeth Offia-Kalu, Simeon Chukwudozie Nwanonenyi, Bello Abdulhakeem, et al.Journal of Molecular Graphics & Modelling|December 6, 2023
Quantifying plasmonic characteristics of pure and alkali doped aluminium clustersSurajit Guin, Sasthi Charan Halder, Shovan Manna, et al.Journal of Molecular Graphics & Modelling|December 1, 2023
A computational study to determine the role of σ-hole in Br/OH substituted nido-carborane and its binding capabilitiesArchan Ravi Sankar, Sermarajan Arunachalam, Ramachandran GnanasekaranPageof 400