Jorge Nochebuena

7PUBLICATIONS
8CO-AUTHORS
Statistical mechanics, physical combinatorics and mathematical aspects of condensed matterContaminant hydrologyTheoretical quantum chemistryCatalysis and mechanisms of reactionsBiomolecular modelling and design
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Publications (7)

|May 15, 2024
Seamless integration of GEM, a density based-force field, for QM/MM simulations via LICHEM, Psi4, and Tinker-HP.

Jorge Nochebuena, Andrew C Simmonett, G Andrés Cisneros

|May 03, 2024
Impact of an Ionic Liquid Solution on Horseradish Peroxidase Activity.

Shubham Chatterjee, Jorge Nochebuena, G Andrés Cisneros

|Apr 01, 2024
Relative cooperativity in neutral and charged molecular clusters using QM/MM calculations.

Jorge Nochebuena, Shubin Liu, G Andrés Cisneros

|Oct 27, 2023
Cooperativity and Frustration Effects (or Lack Thereof) in Polarizable and Non-polarizable Force Fields.

Jorge Nochebuena, Jean-Philip Piquemal, Shubin Liu

|Nov 15, 2022
Polarizable MD and QM/MM investigation of acrylamide-based leads to target the main protease of SARS-CoV-2.

Jorge Nochebuena, G Andrés Cisneros

|Jun 29, 2022
Electronic Structure Effects Related to the Origin of the Remarkable Near-Infrared Absorption of Blastochloris viridis' Light Harvesting 1-Reaction Center Complex.

Gustavo Mondragón-Solórzano, Jacinto Sandoval-Lira, Jorge Nochebuena

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Frequent Collaborators

7 joint publications

G Andrés Cisneros

2 joint publications

Shubin Liu

1 joint publications

Liliana Quintanar

1 joint publications

Alberto Vela