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Journal of Molecular Modeling|November 27, 2020
Structural, electronic, and optical properties of the gallium nitride semiconductor by means of the FP-LAPW methodF Z Gasmi, R Chemam, R Graine, et al.Journal of Molecular Modeling|November 27, 2020
Correction to: MEAM-based MD calculations of melting temperature for FeHak-Son Jin, Se-Won Kim, Kyong-Chol Kim, et al.Journal of Molecular Modeling|November 13, 2020
Identification of saquinavir as a potent inhibitor of dimeric SARS-CoV2 main protease through MM/GBSAMartiniano Bello, Alberto Martínez-Muñoz, Irving Balbuena-RebolledoJournal of Molecular Modeling|July 15, 2021
Molecular mechanism of methyl-dependent and spatial-specific DNA recognition of c-Jun homodimerLi-Hua Bie, Jun-Wen Fei, Jun GaoJournal of Molecular Modeling|May 26, 2022
Ab-initio study of the electronic structure of LaF including spin-orbit couplingJoumana Assaf, Rima Assaf, Fouad El Haj HassanJournal of Molecular Modeling|May 24, 2022
Unraveling the effects of interface orientation and crystallography on the deformation mechanisms of accumulative roll-bonded Cu-Nb-multilayered nanocomposites using molecular dynamicsAnugraha Thyagatur, Leslie T MushongeraJournal of Molecular Modeling|May 13, 2022
Electronic sensors for alkali and alkaline earth cations based on Fullerene-C60 and silicon doped on C60 nanocages: a computational studyAkbar Hassanpour, Mohammad Reza Poor Heravi, Azadeh KhanmohammadiJournal of Molecular Modeling|May 13, 2022
Theoretical insights into effect of surface composition of Pt-Ru bimetallic catalysts on CH3OH oxidation: mechanistic considerationsLihui OuJournal of Molecular Modeling|May 13, 2022
Magnesium oxide nanotube as a promising material for detection of methamphetamine drug: theoretical studyXiaoqing Xu, Weiqi Wang, Lu Lu, et al.Journal of Molecular Modeling|May 2, 2008
ParaFrag--an approach for surface-based similarity comparison of molecular fragmentsArjen-Joachim Jakobi, Harald Mauser, Timothy ClarkPageof 695