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Journal of Molecular Modeling|March 29, 2014
Roles of electrostatic interaction and dispersion in CH···CH, CH···π, and π···π ethylene dimersYe Cao, Ming Wah WongJournal of Molecular Modeling|March 29, 2014
Empty versus filled polyhedra: 11 vertex bare germanium clustersMatei-Maria Uţă, Robert Bruce KingJournal of Molecular Modeling|April 24, 2014
Combined structure- and ligand-based pharmacophore modeling and molecular dynamics simulation studies to identify selective inhibitors of MMP-8Sukesh Kalva, D Vinod, Lilly M SaleenaJournal of Molecular Modeling|April 29, 2014
Fosfomycin induced structural change in fosfomycin resistance kinases FomA: molecular dynamics and molecular docking studiesYun-Jian Wu, Qing-Chuan Zheng, Ji-Long Zhang, et al.Journal of Molecular Modeling|March 18, 2014
Molecular interaction of PCB180 to human serum albumin: insights from spectroscopic and molecular modelling studiesSenbiao Fang, Huanhuan Li, Tao Liu, et al.Journal of Molecular Modeling|March 18, 2014
Switching the conductance of a molecular junction using a proton transfer reactionChriszandro Hofmeister, Rainer Härtle, Oscar Rubio-Pons, et al.Journal of Molecular Modeling|March 18, 2014
Definition of the binding mode of phosphoinositide 3-kinase α-selective inhibitor A-66S through molecular dynamics simulationXiaoli Bian, Wangqing Dong, Yang Zhao, et al.Journal of Molecular Modeling|October 4, 2016
Differential evolution for protein folding optimization based on a three-dimensional AB off-lattice modelBorko Bošković, Janez BrestJournal of Molecular Modeling|April 30, 2014
Modeling the mechanism of action of lycopene as a hydroxyl radical scavengerAjit Kumar Prasad, Phool C MishraJournal of Molecular Modeling|October 17, 2016
Vibronic coupling to simulate the phosphorescence spectra of Ir(III)-based OLED systems: TD-DFT results meet experimental dataHoumam Belaidi, Salah Belaidi, Claudine Katan, et al.Pageof 699