Sergio Martí

10PUBLICATIONS
25CO-AUTHORS
Reaction kinetics and dynamicsNonlinear optics and spectroscopyWaste management, reduction, reuse and recyclingProteins and peptidesCheminformatics and quantitative structure-activity relationships
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (10)

|Mar 31, 2025
Molecular dynamics simulations for enzymatic hydride-transfer reactions: Defining environmental reaction coordinates to capture transition state diversity.

Rafael García-Meseguer, Elise Duboué-Dijon, Sergio Martí

|Jan 24, 2025
DNA Triplet Energies by Free Energy Perturbation Theory.

Rafael García-Messeguer, Miriam Navarrete-Miguel, Sergio Martí

|Jun 05, 2024
Computational study of the mechanism of a polyurethane esterase A (PueA) from Pseudomonas chlororaphis.

Katarzyna Świderek, Sergio Martí, Kemel Arafet

|Jan 18, 2024
Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2.

Francisco J Medrano, Sergio de la Hoz-Rodríguez, Sergio Martí

|Feb 10, 2023
Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents.

Kemel Arafet, Laura Scalvini, Francesca Galvani

|Jan 17, 2023
Computational Study of the Inhibition of RgpB Gingipain, a Promising Target for the Treatment of Alzheimer's Disease.

Santiago Movilla, Sergio Martí, Maite Roca

Pageof 2

Frequent Collaborators

7 joint publications

Vicent Moliner

3 joint publications

Alessio Lodola

3 joint publications

Katarzyna Świderek

2 joint publications

Iñaki Tuñón