Gustavo R. Pérez-Lemus

Modeling the Binding Mechanism of Remdesivir, Favilavir, and Ribavirin to SARS-CoV-2 RNA-Dependent RNA Polymerase

Fabian Byléhn, Cintia A. Menéndez, Gustavo R. Pérez-Lemus et al. · ACS Central Science · 2021 · 65 citations · Full text

Viral Replication, Remdesivir Binding, Medicine +15

Toward wide-spectrum antivirals against coronaviruses: Molecular characterization of SARS-CoV-2 NSP13 helicase inhibitors

Gustavo R. Pérez-Lemus, Cintia A. Menéndez, Walter Alvarado et al. · Science Advances · 2022 · 40 citations · Full text

PySAGES: flexible, advanced sampling methods accelerated with GPUs

Pablo F. Zubieta Rico, Ludwig Schneider, Gustavo R. Pérez-Lemus et al. · npj Computational Materials · 2024 · 17 citations · Full text

Molecular characterization of COVID-19 therapeutics: luteolin as an allosteric modulator of the spike protein of SARS-CoV-2

Walter Alvarado, Gustavo R. Pérez-Lemus, Cintia A. Menéndez et al. · Molecular Systems Design & Engineering · 2021 · 14 citations

Viral Replication, Viral Pathogenesis, Immunology +16

A Molecular View of Methane Activation on Ni(111) through Enhanced Sampling and Machine Learning

Yinan Xu, Yezhi Jin, Jireh S. García Sánchez et al. · The Journal of Physical Chemistry Letters · 2024 · 11 citations · Full text