Vicent Moliner

Publication Activity (10 Years)

Years Active: 2012-2023
Publications (10 Years): 6

Top Topics

Activity Patterns

Environmentally Friendly

Agent Based Modeling

Multiple Agents

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

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)
Miquel A. Galmés, Katarzyna Swiderek, Vicent Moliner
Computational Studies Suggest Promiscuous Candida antarctica Lipase B as an Environmentally Friendly Alternative for the Production of Epoxides. J. Chem. Inf. Model. 61 (7) (2021)
Sergio Boneta, Kemel Arafet, Vicent Moliner
QM/MM Study of the Enzymatic Biodegradation Mechanism of Polyethylene Terephthalate. J. Chem. Inf. Model. 61 (6) (2021)
Natacha Gillet, Bernard Lévy, Vicent Moliner, Isabelle Demachy, Aurélien de la Lande
Theoretical estimation of redox potential of biological quinone cofactors. J. Comput. Chem. 38 (18) (2017)
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)
Conchín Meliá, Silvia Ferrer, Vicent Moliner, Iñaki Tuñón, Juan Bertrán
Computational study on hydrolysis of cefotaxime in gas phase and in aqueous solution. J. Comput. Chem. 33 (24) (2012)