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Journal of Molecular Modeling|November 13, 2014
Deformation density components analysis of fullerene-based anti-HIV drugsSara Fakhraee, Maryam SouriJournal of Molecular Modeling|November 21, 2013
Theoretical studies of the interaction between influenza virus hemagglutinin and its small molecule ligandsDeshou Song, Hanhong Xu, Shuwen LiuJournal of Molecular Modeling|November 16, 2019
Theoretical study of formate, tartrate, tartronate, and glycolate production from 6-carbon trioxylate intermediate in the citric acid cycleMehedi Khan, Supratik Kar, Jing Wang, et al.Journal of Molecular Modeling|November 10, 2019
Modeling and simulating of feed flow in a gas centrifuge using the Monte Carlo method to calculate the maximum separation powerMasoud Khajenoori, Ali Haghighi Asl, Jaber Safdari, et al.Journal of Molecular Modeling|November 14, 2019
Study of molecular interactions by hydrogen bond of charged forms of makaluvamines and complex stability with H2O and glutamic acid (Glu Ac) by the theory of the functional of density (B3LYP)Sékou Diomandé, Affoué Lucie Bédé, Soleymane Koné, et al.Journal of Molecular Modeling|December 14, 2019
Structural and electronic properties of a CN fullerene with N = 20, 60, 80, 180, and 240Devi DassJournal of Molecular Modeling|December 14, 2019
Effect of electric field on polarization and decomposition of RDX molecular crystals: a ReaxFF molecular dynamics studyFeng Miao, Xinlu ChengJournal of Molecular Modeling|December 14, 2019
Fullerene C60 containing porphyrin-like metal center as drug delivery system for ibuprofen drugElham Alipour, Farzaneh Alimohammady, Alexei Yumashev, et al.Journal of Molecular Modeling|March 9, 2020
First principle approach to elucidate transport properties through L-glutamic acid-based molecular devices using symmetrical electrodesGaurav Sikri, Ravinder Singh SawhneyJournal of Molecular Modeling|March 5, 2020
Interaction and selectivity of 14-crown-4 derivatives with Li+, Na+, and Mg2+ metal ionsYongpan Tian, Wenwen Chen, Zhuo Zhao, et al.Pageof 695