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The Journal of Chemical Physics|October 10, 2015
On cooperative effects and aggregation of GNNQQNY and NNQQNY peptidesJorge Nochebuena, Joel Ireta
The Journal of Chemical Physics|November 15, 2022
Polarizable MD and QM/MM investigation of acrylamide-based leads to target the main protease of SARS-CoV-2Jorge Nochebuena, G Andrés Cisneros
Physical Chemistry Chemical Physics : PCCP|June 2, 2017
Origin of cooperativity in hydrogen bondingJorge Nochebuena, Cristina Cuautli, Joel Ireta
Journal of the American Chemical Society|May 3, 2024
Impact of an Ionic Liquid Solution on Horseradish Peroxidase ActivityShubham Chatterjee, Jorge Nochebuena, G Andrés Cisneros
The Journal of Chemical Physics|May 15, 2024
Seamless integration of GEM, a density based-force field, for QM/MM simulations via LICHEM, Psi4, and Tinker-HPJorge Nochebuena, Andrew C Simmonett, G Andrés Cisneros
The Journal of Chemical Physics|April 1, 2024
Relative cooperativity in neutral and charged molecular clusters using QM/MM calculationsJorge Nochebuena, Shubin Liu, G Andrés Cisneros
Wiley Interdisciplinary Reviews. Computational Molecular Science|August 9, 2021
Development and application of quantum mechanics/molecular mechanics methods with advanced polarizable potentialsJorge Nochebuena, Sehr Naseem-Khan, G Andrés Cisneros
Physical Chemistry Chemical Physics : PCCP|September 22, 2021
Structural and electronic analysis of the octarepeat region of prion protein with four Cu2+ by polarizable MD and QM/MM simulationsJorge Nochebuena, Liliana Quintanar, Alberto Vela, et al.
Journal of Chemical Theory and Computation|October 27, 2023
Cooperativity and Frustration Effects (or Lack Thereof) in Polarizable and Non-polarizable Force FieldsJorge Nochebuena, Jean-Philip Piquemal, Shubin Liu, et al.
Journal of Molecular Modeling|April 15, 2025
Understanding the co-adsorption mechanism between nanoplastics and neonicotinoid insecticides from an atomistic perspectiveErwin García-Hernández, F Javier Torres, Diego Cortés-Arriagada, et al.
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