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Journal of Molecular Graphics & Modelling|June 18, 2014
Nonadiabatic reaction mechanisms of the O((3)P) with cyclopenteneHongmei Zhao, Kunhui Liu, Di Song, et al.Journal of Molecular Graphics & Modelling|October 20, 2012
Computed NMR shielding of phosphorus-containing conjugated five-membered ring heterocycles as a measure of aromaticityNed H Martin, Jonathan D RobinsonJournal of Molecular Graphics & Modelling|October 20, 2012
Inhibitory activities and possible anticancer targets of Ru(II)-based complexes using computational docking methodAdebayo A Adeniyi, Peter A AjibadeJournal of Molecular Graphics & Modelling|October 20, 2012
Ligand-specific homology modeling of human cannabinoid (CB1) receptorRizi Ai, Chia-en A ChangJournal of Molecular Graphics & Modelling|October 20, 2012
Structural analysis of Ca²⁺ dependent and Ca²⁺ independent type II antifreeze proteins: a comparative molecular dynamics simulation studySangeeta Kundu, Debjani RoyJournal of Molecular Graphics & Modelling|October 20, 2012
Early stage intercalation of doxorubicin to DNA fragments observed in molecular dynamics binding simulationsHongxing Lei, Xiaofeng Wang, Chun WuJournal of Molecular Graphics & Modelling|March 24, 2023
Controlled supramolecular interactions for targeted release of Amiodarone drug through Graphyne to treat cardiovascular diseases: An in silico studyMehvish Perveen, N M A Hadia, Asima Noreen, et al.Journal of Molecular Graphics & Modelling|August 15, 2022
New insight into the mechanism of Pt(0)-catalyzed hydrosilylation reaction of (CH3)3SiH with CH2CHSi(CH3)3Yingying Gong, Qiuhong Mou, Dan Peng, et al.Journal of Molecular Graphics & Modelling|March 4, 2023
Unveiling mutation effects on the structural dynamics of the main protease from SARS-CoV-2 with hybrid simulation methodsP Gasparini, E A Philot, S Q Pantaleão, et al.Journal of Molecular Graphics & Modelling|February 9, 2023
Structure, energetics, and spectroscopy of the K2+(X2Σ+g) interacting with the noble gas atoms Ar, Kr and XeChedli Ghanmi, Haifa Nakbi, Hind Jahman Al-Qarni, et al.Pageof 400