J. Javier Ruiz‐Pernía

Unraveling the SARS-CoV-2 Main Protease Mechanism Using Multiscale Methods

Carlos A. Ramos‐Guzmán, J. Javier Ruiz‐Pernía, Iñaki Tuñón · ACS Catalysis · 2020 · 167 citations · Full text

Life Sciences, Biochemistry, Molecular Biology +17

Unraveling the role of protein dynamics in dihydrofolate reductase catalysis

Louis Y. P. Luk, J. Javier Ruiz‐Pernía, William Dawson et al. · Proceedings of the National Academy of Sciences · 2013 · 137 citations · Full text

Natural Sciences, Biochemistry, Chemistry +17

Hybrid QM/MM Potentials of Mean Force with Interpolated Corrections

J. Javier Ruiz‐Pernía, Estanislao Silla, Iñaki Tuñón et al. · The Journal of Physical Chemistry B · 2004 · 113 citations

Natural Sciences, Chemistry, Physics +17

Translocation of Enzymes into a Mesoporous MOF for Enhanced Catalytic Activity Under Extreme Conditions

José Navarro‐Sánchez, Neyvis Almora Barrios, Belén Lerma‐Berlanga et al. · Chemical Science · 2019 · 89 citations · Full text

Life Sciences, Biotechnology, Chemical Engineering +17

Insights into the Enhancement of the Poly(ethylene terephthalate) Degradation by FAST-PETase from Computational Modeling

Rafael García-Meseguer, Iñaki Tuñón, J. Javier Ruiz‐Pernía et al. · Journal of the American Chemical Society · 2023 · 80 citations · Full text

Life Sciences, Biochemistry, Chemistry +17