Seguir
Jorge Nochebuena
Título
Citado por
Citado por
Año
Origin of cooperativity in hydrogen bonding
J Nochebuena, C Cuautli, J Ireta
Physical Chemistry Chemical Physics 19 (23), 15256-15263, 2017
532017
Development and application of quantum mechanics/molecular mechanics methods with advanced polarizable potentials
J Nochebuena, S Naseem‐Khan, GA Cisneros
Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (4), e1515, 2021
332021
In silico study of the adsorption of acetamiprid on functionalized carbon nanocones
E García-Hernández, L Palomino-Asencio, R Catarino-Centeno, ...
Physica E: Low-dimensional Systems and Nanostructures 128, 114516, 2021
172021
On the van der W aals interactions and the stability of polypeptide chains in helical conformations
J Nochebuena, A Ramirez, J Ireta
International Journal of Quantum Chemistry 115 (22), 1613-1620, 2015
142015
On cooperative effects and aggregation of GNNQQNY and NNQQNY peptides
J Nochebuena, J Ireta
The Journal of Chemical Physics 143 (13), 2015
102015
Polarizable MD and QM/MM investigation of acrylamide-based leads to target the main protease of SARS-CoV-2
J Nochebuena, GA Cisneros
The Journal of Chemical Physics 157 (18), 2022
32022
Structural and electronic analysis of the octarepeat region of prion protein with four Cu 2+ by polarizable MD and QM/MM simulations
J Nochebuena, L Quintanar, A Vela, GA Cisneros
Physical Chemistry Chemical Physics 23 (38), 21568-21578, 2021
32021
Cooperativity and Frustration Effects (or Lack Thereof) in Polarizable and Non-Polarizable Force Fields
J Nochebuena, JP Piquemal, S Liu, GA Cisneros
Journal of Chemical Theory and Computation, 2023
22023
Electronic Structure Effects Related to the Origin of the Remarkable Near-Infrared Absorption of Blastochloris viridis’ Light Harvesting 1-Reaction Center Complex
G Mondragón-Solórzano, J Sandoval-Lira, J Nochebuena, GA Cisneros, ...
Journal of chemical theory and computation 18 (7), 4555-4564, 2022
22022
Adsorption of glyphosate on graphene and functionalized graphenes: A DFT study
JP Mojica-Sánchez, VM Langarica-Rivera, K Pineda-Urbina, ...
Computational and Theoretical Chemistry 1215, 113840, 2022
12022
Seamless integration of GEM, a density based-force field, for QM/MM simulations via LICHEM, Psi4 and Tinker-HP
J Nochebuena, AC Simmonett, GA Cisneros
2024
Impact of an Ionic Liquid Solution on Horseradish Peroxidase Activity
S Chatterjee, J Nochebuena, GA Cisneros
2024
Relative Cooperativity in Neutral and Charged Molecular Clusters Using QM/MM Calculations
J Nochebuena, S Liu, GA Cisneros
ChemRxiv, 2023
2023
El sistema no puede realizar la operación en estos momentos. Inténtalo de nuevo más tarde.
Artículos 1–13