Carlos Alberto Ramos-Guzmán (Carlos A Ramos-Guzmán)

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 11

Top Topics

Molecular Dynamics Simulations

Electron Transfer

Top Venues

Chemical science

Nature communications

Angewandte Chemie (International ed. in English)

Chemical communications (Cambridge, England)

This page only lists publications with an associated author ORCID identifier.

Publications

Johanna Schillings, Carlos Alberto Ramos-Guzmán, Jose Javier Ruiz-Pernía, Iñaki Tuñón
Pomotrelvir and Nirmatrelvir Binding and Reactivity with SARS-CoV-2 Main Protease: Implications for Resistance Mechanisms from Computations. Angewandte Chemie (International ed. in English) (2024)
Kirill Zinovjev, Paul Guénon, Carlos Alberto Ramos-Guzmán, Jose Javier Ruiz-Pernía, Damien Laage, Iñaki Tuñón
Activation and friction in enzymatic loop opening and closing dynamics. Nature communications 15 (1) (2024)
Kirill Zinovjev, Paul Guénon, Carlos Alberto Ramos-Guzmán, Jose Javier Ruiz-Pernía, Damien Laage, Iñaki Tuñón
Activation and friction in enzymatic loop opening and closing dynamics. Nature communications 15 (1) (2024)
Kirill Zinovjev, Paul Guénon, Carlos Alberto Ramos-Guzmán, Jose Javier Ruiz-Pernía, Damien Laage, Iñaki Tuñón
Activation and friction in enzymatic loop opening and closing dynamics. Nature communications 15 (1) (2024)
Carlos Alberto Ramos-Guzmán, Milorad Andjelkovic, Kirill Zinovjev, Jose Javier Ruiz-Pernía, Iñaki Tuñón
The impact of SARS-CoV-2 3CL protease mutations on nirmatrelvir inhibitory efficiency. Computational insights into potential resistance mechanisms. Chemical science 14 (10) (2023)
Carlos Alberto Ramos-Guzmán, Milorad Andjelkovic, Kirill Zinovjev, Jose Javier Ruiz-Pernía, Iñaki Tuñón
The impact of SARS-CoV-2 3CL protease mutations on nirmatrelvir inhibitory efficiency. Computational insights into potential resistance mechanisms. Chemical science 14 (10) (2023)
Carlos Alberto Ramos-Guzmán, Jose Javier Ruiz-Pernía, Kirill Zinovjev, Iñaki Tuñón
Unveiling the Mechanistic Singularities of Caspases: A Computational Analysis of the Reaction Mechanism in Human Caspase-1. ACS catalysis 13 (7) (2023)
Milorad Andjelkovic, Kirill Zinovjev, Carlos Alberto Ramos-Guzmán, Jose Javier Ruiz-Pernía, Iñaki Tuñón
Elucidation of the Active Form and Reaction Mechanism in Human Asparaginase Type III Using Multiscale Simulations. Journal of chemical information and modeling (2023)
Carlos Alberto Ramos-Guzmán, Jose Javier Ruiz-Pernía, Iñaki Tuñón
Inhibition Mechanism of SARS-CoV-2 Main Protease with Ketone-Based Inhibitors Unveiled by Multiscale Simulations: Insights for Improved Designs*. Angewandte Chemie (International ed. in English) 60 (49) (2021)
Carlos Alberto Ramos-Guzmán, Jose Javier Ruiz-Pernía, Iñaki Tuñón
Computational simulations on the binding and reactivity of a nitrile inhibitor of the SARS-CoV-2 main protease. Chemical communications (Cambridge, England) 57 (72) (2021)
Carlos Alberto Ramos-Guzmán, Jose Javier Ruiz-Pernía, Iñaki Tuñón
A microscopic description of SARS-CoV-2 main protease inhibition with Michael acceptors. Strategies for improving inhibitor design. Chemical science 12 (10) (2021)