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Journal of Molecular Modeling|February 15, 2012
Equilibrium geometries, stabilities, and electronic properties of the cationic Au n Be + (n = 1-8) clusters: comparison with pure gold clustersPeng Shao, Xiao-Yu Kuang, Ya-Ru Zhao, et al.Journal of Molecular Modeling|March 3, 2012
Density functional calculations for a high energy density compound of formula C6H 6-n (NO 2) nWei-Jie Chi, Lu-Lin Li, Bu-Tong Li, et al.Journal of Molecular Modeling|March 7, 2012
Binding of rhodamine B and kiton red S to cucurbit[7]uril: density functional investigationsJayshree K Khedkar, Krishna K Jagtap, Rahul V Pinjari, et al.Journal of Molecular Modeling|March 10, 2012
In silico investigation of interactions between human cannabinoid receptor-1 and its antagonistsGuanglin Kuang, Guoping Hu, Xianqiang Sun, et al.Journal of Molecular Modeling|July 26, 2011
Computer-assisted design for atenolol prodrugs for the use in aqueous formulationsRafik Karaman, Khuloud Dajani, Hussein HallakJournal of Molecular Modeling|July 26, 2011
Conformation analysis of a surface loop that controls active site access in the GH11 xylanase A from Bacillus subtilisDavi Serradella Vieira, Richard John WardJournal of Molecular Modeling|July 26, 2011
Structure and electronic absorption spectra of nematogenic alkoxycinnamic acids - a comparative study based on semiempirical and DFT methodsPogula Lakshmi Praveen, Durga Prasad OjhaJournal of Molecular Modeling|November 12, 2010
A versatile approach for modeling and simulating the tacticity of polymersMassoud J Miri, Benjamin P Pritchard, H N ChengJournal of Molecular Modeling|May 4, 2011
Molecular dynamics simulation and density functional theory studies on the active pocket for the binding of paclitaxel to tubulinSichuan Xu, Shaoming Chi, Yi Jin, et al.Journal of Molecular Modeling|May 4, 2011
Computational study of the electronic structures, UV-Vis spectra and static second-order nonlinear optical susceptibilities of macrocyclic thiophene derivativesShuang Huang, Ai-Min Ren, Lu-Yi Zou, et al.Pageof 699