Discovery of Hit Compounds Targeting the P4 Allosteric Site of K-RAS, Identified through Ensemble-Based Virtual Screening

por Gomez-Gutierrez, Patricia, Rubio-Martinez, Jaime, Perez, Juan J.
Publicado 2023

On the Use of the Discrete Constant pH Molecular Dynamics to Describe the Conformational Space of Peptides

por Privat, Cristian, Madurga, Sergio, Mas, Francesc, Rubio-Martínez, Jaime
Publicado 2020

Unravelling Constant pH Molecular Dynamics in Oligopeptides with Explicit Solvation Model

por Privat, Cristian, Madurga, Sergio, Mas, Francesc, Rubio-Martinez, Jaime
Publicado 2021

Diphenyl Urea Derivatives as Inhibitors of Transketolase: A Structure-Based Virtual Screening

por Obiol-Pardo, Cristian, Alcarraz-Vizán, Gema, Cascante, Marta, Rubio-Martinez, Jaime
Publicado 2012

Modeling and subtleties of K-Ras and Calmodulin interaction

por Garrido, Eduardo, Lázaro, Juan, Jaumot, Montserrat, Agell, Neus, Rubio-Martinez, Jaime
Publicado 2018

Effect of set up protocols on the accuracy of alchemical free energy calculation over a set of ACK1 inhibitors

por Granadino-Roldán, José M., Mey, Antonia S. J. S., Pérez González, Juan J., Bosisio, Stefano, Rubio-Martinez, Jaime, Michel, Julien
Publicado 2019

α4-α5 Helices on Surface of KRAS Can Accommodate Small Compounds That Increase KRAS Signaling While Inducing CRC Cell Death

por Abuasaker, Baraa, Garrido, Eduardo, Vilaplana, Marta, Gómez-Zepeda, Jesús Daniel, Brun, Sonia, Garcia-Cajide, Marta, Mauvezin, Caroline, Jaumot, Montserrat, Pujol, Maria Dolors, Rubio-Martínez, Jaime, Agell, Neus
Publicado 2023

Autochthonous Peruvian Natural Plants as Potential SARS-CoV-2 M(pro) Main Protease Inhibitors

por Peralta-Moreno, Maria Nuria, Anton-Muñoz, Vanessa, Ortega-Alarcon, David, Jimenez-Alesanco, Ana, Vega, Sonia, Abian, Olga, Velazquez-Campoy, Adrian, Thomson, Timothy M., Granadino-Roldán, José Manuel, Machicado, Claudia, Rubio-Martinez, Jaime
Publicado 2023

Discovery of Diverse Natural Products as Inhibitors of SARS-CoV-2 M(pro) Protease through Virtual Screening

por Rubio-Martínez, Jaime, Jiménez-Alesanco, Ana, Ceballos-Laita, Laura, Ortega-Alarcón, David, Vega, Sonia, Calvo, Cristina, Benítez, Cristina, Abian, Olga, Velázquez-Campoy, Adrián, Thomson, Timothy M., Granadino-Roldán, José Manuel, Gómez-Gutiérrez, Patricia, Pérez, Juan J.
Publicado 2021

A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance

por Alegre-Martí, Andrea, Jiménez-Panizo, Alba, Martínez-Tébar, Adrián, Poulard, Coralie, Peralta-Moreno, M. Núria, Abella, Montserrat, Antón, Rosa, Chiñas, Marcos, Eckhard, Ulrich, Piulats, Josep M., Rojas, Ana M., Fernández-Recio, Juan, Rubio-Martínez, Jaime, Le Romancer, Muriel, Aytes, Álvaro, Fuentes-Prior, Pablo, Estébanez-Perpiñá, Eva
Publicado 2023