Showing results (3391-3400 of 4,074) with videos related to
Sort By:
Pageof 408
Journal of Molecular Graphics & Modelling|December 5, 2024
Brussonol and komaroviquinone as inhibitors of the SARS-CoV-2 Omicron BA.2 variant spike protein: A molecular docking, molecular dynamics, and quantum biochemistry approachSamuel J M Santos, Antoninho ValentiniJournal of Molecular Graphics & Modelling|December 22, 2024
Absorption study of fat-soluble vitamins into dipalmitoylphosphatidylcholine (DPPC) bilayer by MD simulationsChanya Phromchaloem, Narissara Na Nakorn, Laksamee Muensritharam, et al.Journal of Molecular Graphics & Modelling|December 25, 2024
Base-catalyzed thiol-epoxy reactions: Energetic and kinetic evaluationsBelma Gjergjizi Nallbani, Memet Vezir Kahraman, Isa DegirmenciJournal of Molecular Graphics & Modelling|November 21, 2024
Dispersion-corrected DFT calculations and dynamic molecular simulations to investigate conformational stability of Lidocaine towards β-CD and HP-β-CDAmira Kadri, Ouassila Attoui Yahia, Belgacem Bezzina, et al.Journal of Molecular Graphics & Modelling|November 26, 2024
Keto-enol Tautomerism of hydroxy-substituted arenes: Theoretical study and experimental consequencesAndrea Kováčová, Martin Michalík, Horst Hartmann, et al.Journal of Molecular Graphics & Modelling|November 14, 2024
In silico drug encapsulation using 2-hydroxypropyl-β-CD, tyrosine kinase and tyrosinase inhibition of dinuclear Cu(II) carboxylate complexesAmir Karim, Najeeb Ullah, Muhammad Iqbal, et al.Journal of Molecular Graphics & Modelling|November 8, 2024
Shape-dependent CO chemisorption on Pt13 nanocluster deposited on reduced TiO2(110)Abel S Maldonado, Susana B Ramos, Gabriela F CabezaJournal of Molecular Graphics & Modelling|October 6, 2024
Exploring the optical properties of naphdiyne sheet: First-principles studyRoya MajidiJournal of Molecular Graphics & Modelling|October 15, 2024
Engineering affinity of humanized ScFv targeting CD147 antibody: A combined approach of mCSM-AB2 and molecular dynamics simulationsThanathat Pamonsupornwichit, Kanchanok Kodchakorn, Piyachat Udomwong, et al.Journal of Molecular Graphics & Modelling|October 15, 2024
Local potential energy density - A DFT analysis and the local binding energy in complexes with multiple interactionsCaio L FirmePageof 408