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Journal of Molecular Modeling|October 30, 2017
Antioxidant activity of omega-3 derivatives and their delivery via nanocages and nanocones: DFT and experimental in vivo investigationHoushang Najafi, Saeed Changizi-Ashtiyani, Meysam NajafiJournal of Molecular Modeling|October 30, 2017
Force field parametrization of hydrogenoxalate and oxalate anions with scaled chargesOndřej Kroutil, Milan Předota, Martin KabeláčJournal of Molecular Modeling|January 4, 2019
Theoretical study of the effects of modifying the structures of organic dyes based on N,N-alkylamine on their efficiencies as DSSC sensitizersS ElKhattabi, M Hachi, A Fitri, et al.Journal of Molecular Modeling|January 7, 2019
Geometries, stabilities, and magnetic properties of Co2Bn (n = 1-10) clustersAiqin Hao, Haibo Xue, Jianfeng JiaJournal of Molecular Modeling|January 7, 2019
Theoretical study on polynitro imidazo [4, 5-e] oxadiazolo [3, 4-b] pyrazine compoundsPeng Lian, Song Chen, Yao-Xuan Zhang, et al.Journal of Molecular Modeling|March 27, 2007
Non-empirical study of the phosphorylation reaction catalyzed by 4-methyl-5-beta-hydroxyethylthiazole kinase: relevance of the theory of intermolecular interactionsEdyta Dyguda-Kazimierowicz, W Andrzej Sokalski, Jerzy LeszczyńskiJournal of Molecular Modeling|February 24, 2007
Computational study of enantioselective interaction between C60 fullerene and its derivatives with L-histidineBhajan LalJournal of Molecular Modeling|March 3, 2007
Insights into catalytic activity of industrial enzyme Co-nitrile hydratase. Docking studies of nitriles and amidesLukasz Peplowski, Karina Kubiak, Wieslaw NowakJournal of Molecular Modeling|March 3, 2007
Comparative QSAR studies on peptide deformylase inhibitorsJi Young Lee, Munikumar Reddy Doddareddy, Yong Seo Cho, et al.Journal of Molecular Modeling|September 16, 2006
Computer simulation of polypeptides in a confinementAndrzej Sikorski, Piotr RomiszowskiPageof 693