Machine Learning Toxicity Prediction: Latest Advances by Toxicity End Point

por Cavasotto, Claudio N., Scardino, Valeria
Publicado 2022

High-Throughput Docking Using Quantum Mechanical Scoring

por Cavasotto, Claudio N., Aucar, M. Gabriela
Publicado 2020

Evaluation of Silicone Fluids and Resins as CO(2) Thickeners for Enhanced Oil Recovery Using a Computational and Experimental Approach

por Gallo, Gonzalo, Erdmann, Eleonora, Cavasotto, Claudio N.
Publicado 2021

Combination of pose and rank consensus in docking-based virtual screening: the best of both worlds

por Scardino, Valeria, Bollini, Mariela, Cavasotto, Claudio N.
Publicado 2021

Quantum Chemical Approaches in Structure-Based Virtual Screening and Lead Optimization

por Cavasotto, Claudio N., Adler, Natalia S., Aucar, Maria G.
Publicado 2018

Functional and druggability analysis of the SARS-CoV-2 proteome

por Cavasotto, Claudio N., Lamas, Maximiliano Sánchez, Maggini, Julián
Publicado 2021

A Machine Learning Model to Predict Drug Transfer Across the Human Placenta Barrier

por Di Filippo, Juan I., Bollini, Mariela, Cavasotto, Claudio N.
Publicado 2021

How good are AlphaFold models for docking-based virtual screening?

por Scardino, Valeria, Di Filippo, Juan I., Cavasotto, Claudio N.
Publicado 2022

Exponential consensus ranking improves the outcome in docking and receptor ensemble docking

por Palacio-Rodríguez, Karen, Lans, Isaias, Cavasotto, Claudio N., Cossio, Pilar
Publicado 2019

Flexi-pharma: a molecule-ranking strategy for virtual screening using pharmacophores from ligand-free conformational ensembles

por Lans, Isaias, Palacio-Rodríguez, Karen, Cavasotto, Claudio N., Cossio, Pilar
Publicado 2020

An Exact Expression to Calculate the Derivatives of Position-Dependent Observables in Molecular Simulations with Flexible Constraints

por Echenique, Pablo, Cavasotto, Claudio N., De Marco, Monica, Garca-Risueño, Pablo, Alonso, J.L.
Publicado 2011

Correction: An Exact Expression to Calculate the Derivatives of Position-Dependent Observables in Molecular Simulations with Flexible Constraints

por Echenique, Pablo, Cavasotto, Claudio N., De Marco, Monica, García-Risueño, Pablo, Alonso, J. L.
Publicado 2017

Non Inflammatory Boronate Based Glucose-Responsive Insulin Delivery Systems

por Dasgupta, Indrani, Tanifum, Eric A., Srivastava, Mayank, Phatak, Sharangdhar S., Cavasotto, Claudio N., Analoui, Mostafa, Annapragada, Ananth
Publicado 2012

Discovery of Novel Bovine Viral Diarrhea Inhibitors Using Structure-Based Virtual Screening on the Envelope Protein E2

por Bollini, Mariela, Leal, Emilse S., Adler, Natalia S., Aucar, María G., Fernández, Gabriela A., Pascual, María J., Merwaiss, Fernando, Alvarez, Diego E., Cavasotto, Claudio N.
Publicado 2018

Insights into the product release mechanism of dengue virus NS3 helicase

por Adler, Natalia S, Cababie, Leila A, Sarto, Carolina, Cavasotto, Claudio N, Gebhard, Leopoldo G, Estrin, Darío A, Gamarnik, Andrea V, Arrar, Mehrnoosh, Kaufman, Sergio B
Publicado 2022

Rationally Designed Interfacial Peptides Are Efficient In Vitro Inhibitors of HIV-1 Capsid Assembly with Antiviral Activity

por Bocanegra, Rebeca, Nevot, María, Doménech, Rosa, López, Inmaculada, Abián, Olga, Rodríguez-Huete, Alicia, Cavasotto, Claudio N., Velázquez-Campoy, Adrián, Gómez, Javier, Martínez, Miguel Ángel, Neira, José Luis, Mateu, Mauricio G.
Publicado 2011

The ULK1-FBXW5-SEC23B nexus controls autophagy

por Jeong, Yeon-Tae, Simoneschi, Daniele, Keegan, Sarah, Melville, David, Adler, Natalia S, Saraf, Anita, Florens, Laurence, Washburn, Michael P, Cavasotto, Claudio N, Fenyö, David, Cuervo, Ana Maria, Rossi, Mario, Pagano, Michele
Publicado 2018

The Histidine-Phosphocarrier Protein of the Phosphoenolpyruvate: Sugar Phosphotransferase System of Bacillus sphaericus Self-Associates

por Doménech, Rosa, Hernández-Cifre, José G., Bacarizo, Julio, Díez-Peña, Ana I., Martínez-Rodríguez, Sergio, Cavasotto, Claudio N., de la Torre, José García, Cámara-Artigás, Ana, Velázquez-Campoy, Adrián, Neira, José L.
Publicado 2013