WATCLUST: a tool for improving the design of drugs based on protein-water interactions ED Lopez, JP Arcon, DF Gauto, AA Petruk, CP Modenutti, VG Dumas, ... Bioinformatics 31 (22), 3697-3699, 2015 | 59 | 2015 |
QM/MM study of the C—C coupling reaction mechanism of CYP121, an essential Cytochrome p450 of Mycobacterium tuberculosis VG Dumas, LA Defelipe, AA Petruk, AG Turjanski, MA Marti Proteins: Structure, Function, and Bioinformatics 82 (6), 1004-1021, 2014 | 41 | 2014 |
Efficient calculation of enzyme reaction free energy profiles using a hybrid differential relaxation algorithm: Application to mycobacterial zinc hydrolases JM Romero, M Martin, CL Ramirez, VG Dumas, MA Marti Advances in Protein Chemistry and Structural Biology 100, 33-65, 2015 | 5 | 2015 |
Determining Free Energies of protein-ligand binding, and association/dissociation processes using computer simulations D Gauto, C Modenutti, V Dumas, Á Lucía, JP Bustamante, A Turjanski, ... World Research Journal of Peptide and Protein 1 (1), 21-32, 2012 | 2 | 2012 |
Primer sistema inteligente de gestión de la información de la Dirección General de Cultura y Educación de la Provincia de Buenos Aires M Zapatero, C Ramirez, F Rago, M Ramos, Y Barrera, A Umfurer, ... XIII Simposio de Informática en el Estado (SIE 2019)-JAIIO 48 (Salta), 2019 | 1 | 2019 |
Decodificando la diversidad catalítica de los citocromos p450 bacterianos mediante métodos bioinformáticos VG Dumas Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales, 2016 | 1 | 2016 |
Bacterial cytochrome P450s: a bioinformatics odyssey of substrate discovery G Schottlender, JM Prieto, C Clemente, CD Schuster, V Dumas, ... Frontiers in Microbiology 15, 1343029, 2024 | | 2024 |
DINÁMICA MOLECULAR DE PROTEÍNAS JP Bustamante, VG Dumas, DF Gauto | | |
Modelización y simulación de la dinámica del HIV: un enfoque basado en agentes JP Bustamante, GA González, VG Dumas | | |