Sergio de la Hoz-Rodríguez (Sergio Martí)

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 17

Top Topics

Molecular Dynamics Simulations

Advanced Non Small Cell Lung Cancer

Epidermal Growth Factor Receptor

Top Venues

Journal of chemical information and modeling

Communications chemistry

Faraday discussions

Chemical communications (Cambridge, England)

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

Publications

Francisco Javier Medrano, Sergio de la Hoz-Rodríguez, Sergio Martí, Kemel Arafet, Tanja Schirmeister, Stefan Josef Hammerschmidt, Christin Müller, Águeda González-Martínez, Elena Santillana, John Ziebuhr, Antonio Romero, Collin Zimmer, Annabelle Carolin Weldert, Robert Zimmermann, Alessio Lodola, Katarzyna Świderek, Vicent Moliner, Florenci V González
Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2. Communications chemistry 7 (1) (2024)
Francisco Javier Medrano, Sergio de la Hoz-Rodríguez, Sergio Martí, Kemel Arafet, Tanja Schirmeister, Stefan Josef Hammerschmidt, Christin Müller, Águeda González-Martínez, Elena Santillana, John Ziebuhr, Antonio Romero, Collin Zimmer, Annabelle Carolin Weldert, Robert Zimmermann, Alessio Lodola, Katarzyna Świderek, Vicent Moliner, Florenci V González
Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2. Communications chemistry 7 (1) (2024)
Katarzyna Świderek, Sergio de la Hoz-Rodríguez, Kemel Arafet, Vicent Moliner
Computational study of the mechanism of a polyurethane esterase A (PueA) from Pseudomonas chlororaphis . Faraday discussions (2024)
Santiago Movilla, Sergio de la Hoz-Rodríguez, Maite Roca, Vicent Moliner
Computational Study of the Inhibition of RgpB Gingipain, a Promising Target for the Treatment of Alzheimer's Disease. Journal of chemical information and modeling 63 (3) (2023)
Kemel Arafet, Laura Scalvini, Francesca Galvani, Sergio de la Hoz-Rodríguez, Vicent Moliner, Marco Mor, Alessio Lodola
Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents. Journal of chemical information and modeling 63 (4) (2023)
Kemel Arafet, Laura Scalvini, Francesca Galvani, Sergio de la Hoz-Rodríguez, Vicent Moliner, Marco Mor, Alessio Lodola
Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents. Journal of chemical information and modeling 63 (4) (2023)
Santiago Movilla, Sergio de la Hoz-Rodríguez, Maite Roca, Vicent Moliner
Computational Study of the Inhibition of RgpB Gingipain, a Promising Target for the Treatment of Alzheimer's Disease. Journal of chemical information and modeling 63 (3) (2023)
Santiago Movilla, Sergio de la Hoz-Rodríguez, Maite Roca, Vicent Moliner
Computational Study of the Inhibition of RgpB Gingipain, a Promising Target for the Treatment of Alzheimer's Disease. Journal of chemical information and modeling (2023)
Santiago Movilla, Sergio de la Hoz-Rodríguez, Maite Roca, Vicent Moliner
Computational Study of the Inhibition of RgpB Gingipain, a Promising Target for the Treatment of Alzheimer's Disease. Journal of chemical information and modeling 63 (3) (2023)
Kemel Arafet, Laura Scalvini, Francesca Galvani, Sergio de la Hoz-Rodríguez, Vicent Moliner, Marco Mor, Alessio Lodola
Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents. Journal of chemical information and modeling 63 (4) (2023)
Kemel Arafet, Laura Scalvini, Francesca Galvani, Sergio de la Hoz-Rodríguez, Vicent Moliner, Marco Mor, Alessio Lodola
Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents. Journal of chemical information and modeling 63 (4) (2023)
Kemel Arafet, Laura Scalvini, Francesca Galvani, Sergio de la Hoz-Rodríguez, Vicent Moliner, Marco Mor, Alessio Lodola
Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents. Journal of chemical information and modeling (2023)
Santiago Movilla, Sergio de la Hoz-Rodríguez, Maite Roca, Vicent Moliner
Computational Study of the Inhibition of RgpB Gingipain, a Promising Target for the Treatment of Alzheimer's Disease. Journal of chemical information and modeling 63 (3) (2023)
Santiago Movilla, Sergio de la Hoz-Rodríguez, Maite Roca, Vicent Moliner
Unrevealing the Proteolytic Activity of RgpB Gingipain from Computational Simulations. Journal of chemical information and modeling 61 (9) (2021)
Sergio de la Hoz-Rodríguez, Kemel Arafet, Alessio Lodola, Adrian J Mulholland, Katarzyna Świderek, Vicent Moliner
Impact of Warhead Modulations on the Covalent Inhibition of SARS-CoV-2 M pro Explored by QM/MM Simulations. ACS catalysis 12 (1) (2021)
Daria De Raffele, Sergio de la Hoz-Rodríguez, Vicent Moliner
A QM/MM study on the origin of retro-aldolase activity of a catalytic antibody. Chemical communications (Cambridge, England) 57 (43) (2021)
Sergio de la Hoz-Rodríguez
QMCube (QM3 ): An all-purpose suite for multiscale QM/MM calculations. Journal of computational chemistry 42 (6) (2020)