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Journal of Molecular Modeling|July 13, 2011
Molecular design of new nitramine explosives: 1,3,5,7-tetranitro-8-(nitromethyl)-4-imidazolino[4,5-b]4-imidazolino-[4,5-e] pyridine and its N-oxideHui Liu, Hongchen Du, Guixiang Wang, et al.Journal of Molecular Modeling|July 13, 2011
Insights into ET(A) subtype selectivity of benzodiazepine endothelin receptor antagonists by 3D-QSAR approachesJun Xia, Jiabin Li, Hongbin SunJournal of Molecular Modeling|July 16, 2011
Mechanism of isoproturon resistance in Phalaris minor: in silico design, synthesis and testing of some novel herbicides for regaining sensitivityDurg Vijay Singh, Kuruba Adeppa, Krishna MisraJournal of Molecular Modeling|July 16, 2011
Effects of the position and manner of hydration on the stability of solvated N-methylacetamides and the strength of binding between N-methylacetamide and water clusters: a computational studyXiuchan Xiao, Ying Tan, Lijuan Zhu, et al.Journal of Molecular Modeling|July 16, 2011
The molecular basis of IGF-II/IGF2R recognition: a combined molecular dynamics simulation, free-energy calculation and computational alanine scanning studyJingjing Guo, Xiaoting Wang, Huijun Sun, et al.Journal of Molecular Modeling|June 23, 2011
Molecular docking and 3D-QSAR study on 4-(1H-indazol-4-yl) phenylamino and aminopyrazolopyridine urea derivatives as kinase insert domain receptor (KDR) inhibitorsXiaoyun Wu, Shuguang Wu, Wen-Hua ChenJournal of Molecular Modeling|June 11, 2011
Predicting the potency of hERG K⁺ channel inhibition by combining 3D-QSAR pharmacophore and 2D-QSAR modelsYayu Tan, Yadong Chen, Qidong You, et al.Journal of Molecular Modeling|June 18, 2011
Pressure-induced phase transition in wurtzite ZnTe: an ab initio studySebahaddin AlptekinJournal of Molecular Modeling|June 16, 2011
Controlling the aggregation and rate of release in order to improve insulin formulation: molecular dynamics study of full-length insulin amyloid oligomer modelsWorkalemahu Mikre Berhanu, Artëm E MasunovJournal of Molecular Modeling|May 12, 2011
Density-functional study on the equilibria in the ThDP activationEduardo J Delgado, Joel B Alderete, Gonzalo A JañaPageof 693