Extracting Atomic Contributions to Binding Free Energy using Molecular Dynamics Simulations with Mixed Solvents (MDmix)

por Alvarez-Garcia, Daniel, Schmidtke, Peter, Cubero, Elena, Barril, Xavier
Publicado 2022

In Silico/In Vivo Insights into the Functional and Evolutionary Pathway of Pseudomonas aeruginosa Oleate-Diol Synthase. Discovery of a New Bacterial Di-Heme Cytochrome C Peroxidase...

por Estupiñán, Mónica, Álvarez-García, Daniel, Barril, Xavier, Diaz, Pilar, Manresa, Angeles
Publicado 2015

Development of an Automatic Pipeline for Participation in the CELPP Challenge

por Miñarro-Lleonar, Marina, Ruiz-Carmona, Sergio, Alvarez-Garcia, Daniel, Schmidtke, Peter, Barril, Xavier
Publicado 2022

Enhanced Channel Calibration for the Image Sensor of the TuMag Instrument

por Magdaleno, Eduardo, Rodríguez Valido, Manuel, Hernández, David, Balaguer, María, Ruiz Cobo, Basilio, Orozco Suárez, David, Álvarez García, Daniel, González, Argelio Mauro
Publicado 2022

rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids

por Ruiz-Carmona, Sergio, Alvarez-Garcia, Daniel, Foloppe, Nicolas, Garmendia-Doval, A. Beatriz, Juhos, Szilveszter, Schmidtke, Peter, Barril, Xavier, Hubbard, Roderick E., Morley, S. David
Publicado 2014