Showing results (1681-1690 of 7,078) with videos related to
Sort By:
Pageof 708
Journal of Molecular Modeling|July 7, 2022
Efficient model photosensitizers based on metallocenyl complexes with thiophene-N = N-pyrimidine as π-conjugated bridge and cyanoacrylate as an anchoring group: a density functional theory studyAmina C Berrekhchi-Berrahma, Michael Springborg, Meijuan Zhou, et al.Journal of Molecular Modeling|November 21, 2022
Influence of the metal - support and metal - metal interactions on Pd nucleation and NO adsorption in a Pd4/γ-Al2O3 (110D) modelLetícia M Prates, José W De M Carneiro, Maurício T De M CruzJournal of Molecular Modeling|December 24, 2022
Design of short peptides and peptide amphiphiles as collagen mimics and an investigation of their interactions with collagen using molecular dynamics simulations and docking studiesRyan M Heise, Ipsita A BanerjeeJournal of Molecular Modeling|January 7, 2023
Density function theory calculation to study the oxidation potential of electron-donating compounds; affirming the oxidation mechanism by NICS calculationsAbolghasem Beheshti, Eslam Pourbasheer, Mohammad Reza GanjaliJournal of Molecular Modeling|December 18, 2022
The intermolecular interactions of ammonia with chlorine and bromine oxides: a theoretical studyXiaolei LiuJournal of Molecular Modeling|December 31, 2022
Catalytic isomerization of glucose to fructose over organic ligands: a DFT studyTao Yu, Dexin Feng, Jiancheng Zhou, et al.Journal of Molecular Modeling|December 27, 2022
On the ability of machine learning methods to discover novel scaffoldsRishi Jagdev, Thomas Bruun Madsen, Paul W FinnJournal of Molecular Modeling|December 29, 2022
Studies of the symmetric binding mode of daclatasvir and analogs using a new homology model of HCV NS5A GT-4aKholoud A Saad, Mohammed A Eldawy, Khaled M ElokelyJournal of Molecular Modeling|June 17, 2022
First-principles study of strain on BN-doped arseneneJianlin He, Guili Liu, Xinyue Li, et al.Journal of Molecular Modeling|June 2, 2022
Atenolol-imprinted polymer: a DFT studyPollyanna P Maia, Lilian C Zin, Camilla F Silva, et al.Pageof 708