Sergio Martí
Universidad Jaime I
H-index: 33
Europe-Spain
Top articles of Sergio Martí
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2 | Communications Chemistry | Francisco J Medrano Sergio de la Hoz-Rodríguez Sergio Martí Kemel Arafet Tanja Schirmeister | 2024/1/18 |
Computational study of the Mechanism of a polyurethane esterase A (PueA) from Pseudomonas chlororaphis | Faraday Discussions | Katarzyna Świderek Sergio Marti Kemel Arafet Vicent Moliner | 2024 |
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 | Kemel Arafet Laura Scalvini Francesca Galvani Sergio Martí Vicent Moliner | 2023/2/10 |
Computational Study of the Inhibition of RgpB Gingipain, a Promising Target for the Treatment of Alzheimer’s Disease | Santiago Movilla Núñez Sergio Martí Maite Roca Vicent Moliner | 2023/1/17 | |
Impact of Warhead Modulations on the Covalent Inhibition of SARS-CoV-2 Mpro Explored by QM/MM Simulations | ACS catalysis | Sergio Martí Kemel Arafet Alessio Lodola Adrian J Mulholland Katarzyna Swiderek | 2021/12/26 |
Assessment of the PETase conformational changes induced by poly (ethylene terephthalate) binding | Proteins: Structure, Function, and Bioinformatics | Clauber Henrique Souza da Costa Alberto M Dos Santos Cláudio Nahum Alves Sérgio Martí Vicent Moliner | 2021/10 |
Unrevealing the proteolytic activity of RgpB gingipain from computational simulations | Journal of Chemical Information and Modeling | Santiago Movilla Sergio Martí Maite Roca Vicent Moliner | 2021/9/2 |
A QM/MM study on the origin of retro-aldolase activity of a catalytic antibody | Sergio Martí Vicent Moliner | 2021/4/26 | |
QMCube (QM3): An all‐purpose suite for multiscale QM/MM calculations | Journal of Computational Chemistry | Sergio Martí | 2021/3/5 |
Are Heme-Dependent Enzymes Always Using a Redox Mechanism? A Theoretical Study of the Kemp Elimination Catalyzed by a Promiscuous Aldoxime Dehydratase | ACS catalysis | Sergio Marti Inaki Tunon Vicent Moliner Joan Bertran | 2020/9/3 |
Understanding the directed evolution of de novo Retro-Aldolases from QM/MM studies | ACS Catalysis | Daria De Raffele Sergio Martí Vicent Moliner | 2020/5/15 |
