gmx_MMPBSA: A New Tool to Perform End-State Free Energy Calculations with GROMACS von Valdés-Tresanco, Mario S, Valdés-Tresanco, Mario E, Valiente, Pedro A, Moreno, Ernesto

Volltext

AMDock: a versatile graphical tool for assisting molecular docking with Autodock Vina and Autodock4 von Valdés-Tresanco, Mario S, Valdés-Tresanco, Mario E, Valiente, Pedro A, Moreno, Ernesto

Volltext

Assessment of Different Parameters on the Accuracy of Computational Alanine Scanning of Protein–Protein Complexes with the Molecular Mechanics/Generalized Born Surface Area Method... von Valdés-Tresanco, Mario E., Valdés-Tresanco, Mario S., Moreno, Ernesto, Valiente, Pedro A.

Volltext

Structural Modeling of Nanobodies: A Benchmark of State-of-the-Art Artificial Intelligence Programs von Valdés-Tresanco, Mario S, Valdés-Tresanco, Mario E, Jiménez-Gutiérrez, Daiver E, Moreno, Ernesto

Volltext

Structural Insights into the Design of Synthetic Nanobody Libraries von Valdés-Tresanco, Mario S, Molina-Zapata, Andrea, Pose, Alaín González, Moreno, Ernesto

Volltext

Structure-based design and construction of a synthetic phage display nanobody library von Moreno, Ernesto, Valdés-Tresanco, Mario S, Molina-Zapata, Andrea, Sánchez-Ramos, Oliberto

Volltext

Identifying Potential Molecular Targets in Fungi Based on (Dis)Similarities in Binding Site Architecture with Proteins of the Human Pharmacolome von Bedoya-Cardona, Johann E, Rubio-Carrasquilla, Marcela, Ramírez-Velásquez, Iliana M, Valdés-Tresanco, Mario S, Moreno, Ernesto

Volltext

Tailored Parameterization of the LIE Method for Calculating the Binding Free Energy of Vps34–Inhibitor Complexes von Valdés-Tresanco, Mario S, Valdés-Tresanco, Mario E, Rubio-Carrasquilla, Marcela, Valiente, Pedro A, Moreno, Ernesto

Volltext

Protein surface roughness accounts for binding free energy of Plasmepsin II‐ligand complexes von Valdés‐Tresanco, Mario E., Valdés‐Tresanco, Mario S., Valiente, Pedro A., Cocho, Germinal, Mansilla, Ricardo, Nieto‐Villar, J.M.

Volltext

NbThermo: a new thermostability database for nanobodies von Valdés-Tresanco, Mario S, Valdés-Tresanco, Mario E, Molina-Abad, Esteban, Moreno, Ernesto

Volltext

Selecting Interpretability Techniques for Healthcare Machine Learning models von Sierra-Botero, Daniel, Molina-Taborda, Ana, Valdés-Tresanco, Mario S, Hernández-Arango, Alejandro, Espinosa-Leal, Leonardo, Karpenko, Alexander, Lopez-Acevedo, Olga

Volltext bestellen

1067. Identifying and Assaying New Potential Molecular Targets in Fungi Following a Novel Strategy Based on Binding Site (Dis)Similarities with Proteins of the Human Pharmacolome von Bedoya-Cardona, Johann E, Rubio-Carrasquilla, Marcela, Valdes-Tresanco, Mario S, Ramirez-Velasquez, Iliana M, Moreno, Ernesto

Volltext

Selecting Interpretability Techniques for Healthcare Machine Learning models von Sierra-Botero, Daniel, Molina-Taborda, Ana, Valdés-Tresanco, Mario S, Hernández-Arango, Alejandro, Espinosa-Leal, Leonardo, Karpenko, Alexander, Lopez-Acevedo, Olga

Volltext

The origin and radiation of the phosphoprotein phosphatase (PPP) enzymes of Eukaryotes von Kerk, David, Mattice, Jordan F., Valdés-Tresanco, Mario E., Noskov, Sergei Yu, Ng, Kenneth K.-S., Moorhead, Greg B.

Volltext

Discovery of novel non-competitive inhibitors of mammalian neutral M1 aminopeptidase (APN) von Pascual, Isel, Valiente, Pedro A., García, Gabriela, Valdés-Tresanco, Mario E., Arrebola, Yarini, Díaz, Lisset, Bounaadja, Lotfi, Uribe, Rosa María, Pacheco, Mae Chappé, Florent, Isabelle, Charli, Jean-Louis

Volltext

Bestatin and bacitracin inhibit porcine kidney cortex dipeptidyl peptidase IV activity and reduce human melanoma MeWo cell viability von Méndez, Laura Rivera, Arrebola, Yarini, Valdés-Tresanco, Mario E., Díaz-Guevara, Lisset, Bergado, Gretchen, Sánchez, Belinda, Charli, Jean-Louis, Pascual Alonso, Isel

Volltext

Identification and Validation of Compounds Targeting Leishmania major Leucyl-Aminopeptidase M17 von Aguado, Mirtha E., Carvalho, Sandra, Valdés-Tresanco, Mario E., Lin, De, Padilla-Mejia, Norma, Corpas-Lopez, Victoriano, Tesařová, Martina, Lukeš, Julius, Gray, David, González-Bacerio, Jorge, Wyllie, Susan, Field, Mark C.

Volltext

Bufadienolides preferentially inhibit aminopeptidase N among mammalian metallo-aminopeptidases; relationship with effects on human melanoma MeWo cells von Pascual Alonso, Isel, Rivera Méndez, Laura, Almeida García, Fabiola, Valdés-Tresanco, Mario Ernesto, Alonso Bosch, Roberto, Perera, Wilmer H., Arrebola Sánchez, Yarini, Bergado, Gretchen, Sánchez Ramírez, Belinda, Charli, Jean-Louis

Volltext

Marine Invertebrates: A Promissory Still Unexplored Source of Inhibitors of Biomedically Relevant Metallo Aminopeptidases Belonging to the M1 and M17 Families von Pascual Alonso, Isel, Almeida García, Fabiola, Valdés Tresanco, Mario Ernesto, Arrebola Sánchez, Yarini, Ojeda Del Sol, Daniel, Sánchez Ramírez, Belinda, Florent, Isabelle, Schmitt, Marjorie, Avilés, Francesc Xavier

Volltext

Unveiling Sticholysin II and plasmid DNA interaction: Implications for developing non-viral vectors von Escalona-Rodriguez, Felipe A, Cruz-Leal, Yoelys, La O-Bonet, Javier, Pérez-Erviti, Julio A, Valdés-Tresanco, Mario Ernesto, Rivero-Hernández, Ada L, Sifontes-Niebla, Maricary, Manso-Vargas, Alexis, Sánchez, Belinda, Alvarez, Carlos, Barbosa, Leandro R S, Itri, Rosangela, Lanio, María E

Volltext