Sergio Martí

Publication Activity (10 Years)

Years Active: 2012-2023
Publications (10 Years): 5

Top Topics

Activity Patterns

Statistical Analysis

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Santiago Movilla, Sergio Martí, Maite Roca, Vicent Moliner
Computational Study of the Inhibition of RgpB Gingipain, a Promising Target for the Treatment of Alzheimer's Disease. J. Chem. Inf. Model. 63 (3) (2023)
Kemel Arafet, Laura Scalvini, Francesca Galvani, Sergio Martí, 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. J. Chem. Inf. Model. 63 (4) (2023)
Santiago Movilla, Sergio Martí, Maite Roca, Vicent Moliner
Unrevealing the Proteolytic Activity of RgpB Gingipain from Computational Simulations. J. Chem. Inf. Model. 61 (9) (2021)
Sergio Martí
QMCube (QM3): An all-purpose suite for multiscale QM/MM calculations. J. Comput. Chem. 42 (6) (2021)
Ignacio Viciano, Raquel Castillo, Sergio Martí
QM/MM modeling of the hydroxylation of the androstenedione substrate catalyzed by cytochrome P450 aromatase (CYP19A1). J. Comput. Chem. 36 (23) (2015)
Ignacio Viciano, Slawomir Berski, Sergio Martí, Juan Andrés
New insight into the electronic structure of iron(IV)-oxo porphyrin compound I. A quantum chemical topological analysis. J. Comput. Chem. 34 (9) (2013)
Nelson Alberto N. de Alencar, Paulo Robson M. Sousa, José Rogério A. Silva, Jerônimo Lameira, Cláudio Nahum Alves, Sergio Martí, Vicent Moliner
Computational Analysis of Human OGA Structure in Complex with PUGNAc and NAG-Thiazoline Derivatives. J. Chem. Inf. Model. 52 (10) (2012)