Showing results (81-90 of 122) with videos related to
Sort By:
Pageof 13
The Journal of Physical Chemistry. A|December 20, 2017
Reaction Mechanism of Organocatalytic Michael Addition of Nitromethane to Cinnamaldehyde: A Case Study on Catalyst Regeneration and Solvent EffectsKatarzyna Świderek, Alexander R Nödling, Yu-Hsuan Tsai, et al.International Journal of Molecular Sciences|January 11, 2022
Exploring the Catalytic Mechanism of the RNA Cap Modification by nsp16-nsp10 Complex of SARS-CoV-2 through a QM/MM ApproachJosé Rogério A Silva, Jaime Urban, Edson Araújo, et al.Inorganic Chemistry|July 10, 2009
Dioxygen activation by mononuclear copper enzymes: insights from a tripodal ligand mimicking their Cu(M) coordination sphereAurélien de la Lande, Dennis Salahub, Vicent Moliner, et al.Journal of the American Chemical Society|June 19, 2003
Theoretical modeling of enzyme catalytic power: analysis of "cratic" and electrostatic factors in catechol O-methyltransferaseMaite Roca, Sergio Martí, Juan Andrés, et al.Bioorganic & Medicinal Chemistry|April 11, 2007
Calculation of binding energy using BLYP/MM for the HIV-1 integrase complexed with the S-1360 and two analoguesCláudio N Alves, Sergio Martí, Raquel Castillo, et al.Advances in Protein Chemistry and Structural Biology|September 17, 2011
Hybrid schemes based on quantum mechanics/molecular mechanics simulations goals to success, problems, and perspectivesSilvia Ferrer, Javier Ruiz-Pernía, Sergio Martí, et al.ACS Catalysis|July 6, 2019
Experimental and Computational Studies Delineate the Role of Asparagine 177 in Hydride Transfer for E. coli Thymidylate SynthaseIlya Gurevic, Zahidul Islam, Katarzyna Świderek, et al.Biophysical Journal|November 6, 2007
A quantum mechanic/molecular mechanic study of the wild-type and N155S mutant HIV-1 integrase complexed with diketo acidCláudio Nahum Alves, Sergio Martí, Raquel Castillo, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|June 16, 2007
A quantum mechanics/molecular mechanics study of the protein-ligand interaction for inhibitors of HIV-1 integraseCláudio N Alves, Sergio Martí, Raquel Castillo, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|November 22, 2013
Investigation of the hydroxylation mechanism of noncoupled copper oxygenases by ab initio molecular dynamics simulationsConchín Meliá, Silvia Ferrer, Jan Řezáč, et al.Pageof 13