Showing results (2521-2530 of 6,985) with videos related to
Sort By:
Pageof 699
Journal of Molecular Modeling|June 18, 2011
Insight into the binding interactions of CYP450 aromatase inhibitors with their target enzyme: a combined molecular docking and molecular dynamics studyRoberta Galeazzi, Luca MassaccesiJournal of Molecular Modeling|May 16, 2012
DFT studies on one-electron oxidation and one-electron reduction for 2- and 4-aminopyridinesEwa D Raczyńska, Tomasz M Stępniewski, Katarzyna KolczyńskaJournal of Molecular Modeling|May 17, 2012
Lead compound design for TPR/COX dual inhibitionAbhay Krishna, Arpita YadavJournal of Molecular Modeling|May 17, 2012
Interaction between alkaline earth cations and oxo ligands: a DFT study of the affinity of Mg2+ for carbonyl ligandsLeonardo Moreira da Costa, Stanislav R Stoyanov, José Walkimar de M CarneiroJournal of Molecular Modeling|January 4, 2008
Multiple-step virtual screening using VSM-G: overview and validation of fast geometrical matching enrichmentAlexandre Beautrait, Vincent Leroux, Matthieu Chavent, et al.Journal of Molecular Modeling|November 7, 2016
A DFT investigation of a bulky biomimetic model catalyzing the 5'-outer ring deiodination of thyroxineMariagrazia Fortino, Tiziana Marino, Nino Russo, et al.Journal of Molecular Modeling|December 23, 2016
Mechanisms for nickel(0)/N-heterocyclic carbene-catalyzed intramolecular alkene hydroacylation: insights from a DFT studyQingxi Meng, Fen WangJournal of Molecular Modeling|December 23, 2016
Synthesis and theoretical studies on nitrogen-rich salts of bis[4-nitraminofurazanyl-3-azoxy]azofurazan (ADNAAF)Chunmei Zheng, Yuting Chu, Liwen Xu, et al.Journal of Molecular Modeling|January 9, 2017
Methylenecyclopropene: local vision of the first 1B2 excited stateJulien Racine, Mohamed Abdelhak Touadjine, Ali Rahmouni, et al.Journal of Molecular Modeling|January 9, 2017
A quantum chemistry evaluation of the stereochemical activity of the lone pair in PbII complexes with sequestering ligandsAurélien Moncomble, Jean-Paul Cornard, Michel MeyerPageof 699