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Journal of Molecular Modeling|June 18, 2013
Natural velvet antler polypeptide conformation prediction and molecular docking study with TGF-β1 complexYu-Dong Shang, Ji-Long Zhang, Qing-Chuan ZhengJournal of Molecular Modeling|April 30, 2013
Key role of hydrazine to the interaction between oxaloacetic against phosphoenolpyruvic carboxykinase (PEPCK): ONIOM calculationsPongthep Prajongtat, Darinee Sae-Tang Phromyothin, Supa HannongbuaJournal of Molecular Modeling|April 30, 2013
Thermodynamic computational approach to capture molecular recognition in the binding of different inhibitors to the DNA gyrase B subunit from Escherichia coliLiane Saíz-Urra, Miguel Ángel Cabrera Pérez, Matheus FroeyenJournal of Molecular Modeling|April 27, 2013
A B3LYP and MP2(full) theoretical investigation into the cooperativity effect between dihydrogen-bonding and H-M∙∙∙π (M = Li, Na, K) interactions among HF, MH with the π-electron donor C2H2, C2H4 or C6H6Jian-feng Guo, Wen-jing Shi, Fu-de Ren, et al.Journal of Molecular Modeling|April 27, 2013
Cooperative modelling and design on the computing grid: data, flux and knowledge interoperabilityAntonio Laganà, Elda Rossi, Stefano EvangelistiJournal of Molecular Modeling|June 11, 2013
Predicting the preferred conformations of luteolin-4'-O-β-D-glucoside in gas phase: a comparison of two computational approachesYongzhi Li, Xiuhua Liu, Dong Chen, et al.Journal of Molecular Modeling|August 1, 2013
Molecular dynamics study of Na⁺ transportation in a cyclic peptide nanotube and its influences on water behaviors in the tubeXuezeng Song, Jianfen Fan, Dongyan Liu, et al.Journal of Molecular Modeling|June 25, 2013
The effect of cross linking density on the mechanical properties and structure of the epoxy polymers: molecular dynamics simulationAli Shokuhfar, Behrouz ArabJournal of Molecular Modeling|June 25, 2013
Structural and phylogenetic basis for the classification of group III phospholipase A2Gururao Hariprasad, Alagiri Srinivasan, Reema SinghJournal of Molecular Modeling|March 26, 2013
Molecular dynamic simulations give insight into the mechanism of binding between 2-aminothiazole inhibitors and CDK5Wei Wang, Xiaoning Cao, Xiaolei Zhu, et al.Pageof 697