Molecular Basis of Bicyclic Boronate β-Lactamase Inhibitors of Ultrabroad Efficacy – Insights From Molecular Dynamics Simulation Studies

por Lence, Emilio, González-Bello, Concepción
Publicado 2021

QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes

por Lence, Emilio, van der Kamp, Marc W., González-Bello, Concepción, Mulholland, Adrian J.
Publicado 2018

Mapping a protein recognition centre with chiral photoactive ligands. An integrated approach combining photophysics, reactivity, proteomics and molecular dynamics simulation studie...

por Limones-Herrero, Daniel, Pérez-Ruiz, Raúl, Lence, Emilio, González-Bello, Concepción, Miranda, Miguel A., Jiménez, M. Consuelo
Publicado 2017

Photobinding of Triflusal to Human Serum Albumin Investigated by Fluorescence, Proteomic Analysis, and Computational Studies

por Molins-Molina, Oscar, Pérez-Ruiz, Raúl, Lence, Emilio, González-Bello, Concepción, Miranda, Miguel A., Jiménez, M. Consuelo
Publicado 2019

Protein Binding of Lapatinib and Its N- and O-Dealkylated Metabolites Interrogated by Fluorescence, Ultrafast Spectroscopy and Molecular Dynamics Simulations

por Andreu, Inmaculada, Lence, Emilio, González-Bello, Concepción, Mayorga, Cristobalina, Cuquerella, M. Consuelo, Vayá, Ignacio, Miranda, Miguel A.
Publicado 2020

Switching from ultrafast electron transfer to proton transfer in excited drug–protein complexes upon biotransformation

por Tamarit, Lorena, El Ouardi, Meryem, Lence, Emilio, Andreu, Inmaculada, González-Bello, Concepción, Vayá, Ignacio, Miranda, Miguel A.
Publicado 2022

Regioselective Synthesis of 2-Aryl-5-cyano-1-(2-hydroxyaryl)-1H-imidazole-4-carboxamides Self-Assisted by a 2-Hydroxyaryl Group

por Pedroso de Lima, Fábio, Lence, Emilio, Suárez de Cepeda, Pilar, Correia, Carla, Carvalho, M. Alice, González-Bello, Concepción, Proença, M. Fernanda
Publicado 2022

Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme—A molecular insight (†)

por Rodríguez, Ángela, Maneiro, María, Lence, Emilio, Otero, José M., van Raaij, Mark J., Thompson, Paul, Hawkins, Alastair R., González-Bello, Concepción
Publicado 2023

Crambescin C1 Acts as A Possible Substrate of iNOS and eNOS Increasing Nitric Oxide Production and Inducing In Vivo Hypotensive Effect

por Rubiolo, Juan A., Lence, Emilio, González-Bello, Concepción, Roel, María, Gil-Longo, José, Campos-Toimil, Manuel, Ternon, Eva, Thomas, Olivier P., González-Cantalapiedra, Antonio, López-Alonso, Henar, Vieytes, Mercedes R., Botana, Luis M.
Publicado 2021