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Journal of Molecular Modeling|March 20, 2017
The structure of Cu(II) and Hg(II) complexes of bispyrenyl azine revisitedArturo Espinosa Ferao, Rafaela GarcíaJournal of Molecular Modeling|March 9, 2017
Theoretical investigation of pillar[4]quinone as a cathode active material for lithium-ion batteriesLong Huan, Ju Xie, Ming Chen, et al.Journal of Molecular Modeling|September 11, 2019
Ewald-based methods for Gaussian integral evaluation: application to a new parameterization of GEMRobert E Duke, G Andrés CisnerosJournal of Molecular Modeling|August 21, 2019
Synergistic long-range effects of mutations underlie aggregation propensities of amylin analoguesNelson A Alves, Luis G Dias, Rafael B FrigoriJournal of Molecular Modeling|August 22, 2019
Theoretical UV-Vis spectra of tetracationic porphyrin: effects of environment on electronic spectral propertiesEduardo Diaz Suarez, Filipe Camargo Dalmatti Alves Lima, Patrícia Moura Dias, et al.Journal of Molecular Modeling|December 15, 2004
Modeling the E. coli 4-hydroxybenzoic acid oligoprenyltransferase ( ubiA transferase) and characterization of potential active sitesLars Bräuer, Wolfgang Brandt, Ludger A WessjohannJournal of Molecular Modeling|December 15, 2004
Quantitative structure-activity relationship study on some benzodiazepine derivatives as anti-Alzheimer agentsBikash Debnath, Shovanlal Gayen, Anindya Basu, et al.Journal of Molecular Modeling|December 15, 2004
Determination of fuzzy logic membership functions using genetic algorithms: application to structure-odor modelingMohamed Kissi, Mohammed Ramdani, Mustapha Tollabi, et al.Journal of Molecular Modeling|December 14, 2004
Direct ab initio dynamics studies of the hydrogen abstraction reactions of hydrogen atom with n-propyl radical and isopropyl radicalQian Shu Li, Yue Zhang, Shaowen ZhangJournal of Molecular Modeling|November 27, 2004
An extended aqueous solvation model based on atom-weighted solvent accessible surface areas: SAWSA v2.0 modelTingjun Hou, Wei Zhang, Qin Huang, et al.Pageof 697