Androgen Receptor Binding Category Prediction with Deep Neural Networks and Structure-, Ligand-, and Statistically Based Features

por García-Sosa, Alfonso T.
Publicado 2021

Combined Naïve Bayesian, Chemical Fingerprints and Molecular Docking Classifiers to Model and Predict Androgen Receptor Binding Data for Environmentally- and Health-Sensitive Subst...

por García-Sosa, Alfonso T., Maran, Uko
Publicado 2021

Binding affinities of the farnesoid X receptor in the D3R Grand Challenge 2 estimated by free-energy perturbation and docking

por Olsson, Martin A., García-Sosa, Alfonso T., Ryde, Ulf
Publicado 2017

Data Mining and Machine Learning Models for Predicting Drug Likeness and Their Disease or Organ Category

por Yosipof, Abraham, Guedes, Rita C., García-Sosa, Alfonso T.
Publicado 2018

Drug repurposing: a nexus of innovation, science, and potential

por De Rosa, Maria Cristina, Purohit, Rituraj, García-Sosa, Alfonso T.
Publicado 2023

Peptide-Ligand Binding Modeling of siRNA with Cell-Penetrating Peptides

por García-Sosa, Alfonso T., Tulp, Indrek, Langel, Kent, Langel, Ülo
Publicado 2014

Editorial: Multi-Target-Directed Ligands (MTDL) as Challenging Research Tools in Drug Discovery: From Design to Pharmacological Evaluation

por Alcaro, Stefano, Bolognesi, Maria Laura, García-Sosa, Alfonso T., Rapposelli, Simona
Publicado 2019

Arginase Flavonoid Anti-Leishmanial in Silico Inhibitors Flagged against Anti-Targets

por Glisic, Sanja, Sencanski, Milan, Perovic, Vladimir, Stevanovic, Strahinja, García-Sosa, Alfonso T.
Publicado 2016

BRCT Domains: Structure, Functions, and Implications in Disease—New Therapeutic Targets for Innovative Drug Discovery against Infections

por Peña-Guerrero, José, Fernández-Rubio, Celia, García-Sosa, Alfonso T., Nguewa, Paul A.
Publicado 2023

Recovering Actives in Multi-Antitarget and Target Design of Analogs of the Myosin II Inhibitor Blebbistatin

por Roman, Bart I., Guedes, Rita C., Stevens, Christian V., García-Sosa, Alfonso T.
Publicado 2018

Cobalt Complex with Thiazole-Based Ligand as New Pseudomonas aeruginosa Quorum Quencher, Biofilm Inhibitor and Virulence Attenuator

por Borges, Anabela, Simões, Manuel, Todorović, Tamara R., Filipović, Nenad R., García-Sosa, Alfonso T.
Publicado 2018

Best Practices for QSAR Model Reporting: Physical and Chemical Properties, Ecotoxicity, Environmental Fate, Human Health, and Toxicokinetics Endpoints

por Piir, Geven, Kahn, Iiris, García-Sosa, Alfonso T., Sild, Sulev, Ahte, Priit, Maran, Uko
Publicado 2018

Molecular Dynamics Simulations of the Interactions between Glial Cell Line-Derived Neurotrophic Factor Family Receptor GFRα1 and Small-Molecule Ligands

por Ivanova, Larisa, Tammiku-Taul, Jaana, García-Sosa, Alfonso T., Sidorova, Yulia, Saarma, Mart, Karelson, Mati
Publicado 2018

Exploring EZH2-Proteasome Dual-Targeting Drug Discovery through a Computational Strategy to Fight Multiple Myeloma

por Estrada, Filipe G. A., Miccoli, Silvia, Aniceto, Natália, García-Sosa, Alfonso T., Guedes, Rita C.
Publicado 2021

Discovery and Validation of Lmj_04_BRCT Domain, a Novel Therapeutic Target: Identification of Candidate Drugs for Leishmaniasis

por Peña-Guerrero, José, Fernández-Rubio, Celia, Burguete-Mikeo, Aroia, El-Dirany, Rima, García-Sosa, Alfonso T., Nguewa, Paul
Publicado 2021

The Novel Serine/Threonine Protein Kinase LmjF.22.0810 from Leishmania major May Be Involved in the Resistance to Drugs such as Paromomycin

por Vacas, Andrés, Fernández-Rubio, Celia, Algarabel, Miriam, Peña-Guerrero, José, Larrea, Esther, Rocha Formiga, Fabio, García-Sosa, Alfonso T., Nguewa, Paul A.
Publicado 2019

Synthesis, In Silico, and In Vitro Evaluation of Anti-Leishmanial Activity of Oxadiazoles and Indolizine Containing Compounds Flagged against Anti-Targets

por Stevanovic, Strahinja, Sencanski, Milan, Danel, Mathieu, Menendez, Christophe, Belguedj, Roumaissa, Bouraiou, Abdelmalek, Nikolic, Katarina, Cojean, Sandrine, Loiseau, Philippe M., Glisic, Sanja, Baltas, Michel, García-Sosa, Alfonso T.
Publicado 2019

Activity to Breast Cancer Cell Lines of Different Malignancy and Predicted Interaction with Protein Kinase C Isoforms of Royleanones

por Isca, Vera M. S., Sencanski, Milan, Filipovic, Nenad, Dos Santos, Daniel J. V. A., Čipak Gašparović, Ana, Saraíva, Lucília, Afonso, Carlos A. M., Rijo, Patrícia, García-Sosa, Alfonso T.
Publicado 2020

Selenazolyl-hydrazones as Novel Selective MAO Inhibitors With Antiproliferative and Antioxidant Activities: Experimental and In-silico Studies

por Elshaflu, Hana, Todorović, Tamara R., Nikolić, Milan, Lolić, Aleksandar, Višnjevac, Aleksandar, Hagenow, Stefanie, Padrón, José M., García-Sosa, Alfonso T., Djordjević, Ivana S., Grubišić, Sonja, Stark, Holger, Filipović, Nenad R.
Publicado 2018

Design of Anti-infectious Agents from Lawsone in a Three-Component Reaction with Aldehydes and Isocyanides

por Koumpoura, Christina L., Nguyen, Michel, Bijani, Christian, Vendier, Laure, Salina, Elena G., Buroni, Silvia, Degiacomi, Giulia, Cojean, Sandrine, Loiseau, Philippe M., Benoit-Vical, Françoise, García-Sosa, Alfonso T., Anne Robert, Baltas, Michel
Publicado 2022