Quantum Chemical Approaches in Structure-Based Virtual Screening and Lead Optimization
Cavasotto, Claudio N, Adler, Natalia S, Aucar, Maria G
Published in Frontiers in chemistry (29.05.2018)
Published in Frontiers in chemistry (29.05.2018)
Get full text
Journal Article
The ULK1-FBXW5-SEC23B nexus controls autophagy
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
Published in eLife (31.12.2018)
Published in eLife (31.12.2018)
Get full text
Journal Article
Isoform selectivity of adenylyl cyclase inhibitors: characterization of known and novel compounds
Brand, Cameron S, Hocker, Harrison J, Gorfe, Alemayehu A, Cavasotto, Claudio N, Dessauer, Carmen W
Published in The Journal of pharmacology and experimental therapeutics (01.11.2013)
Published in The Journal of pharmacology and experimental therapeutics (01.11.2013)
Get full text
Journal Article
A Machine Learning Model to Predict Drug Transfer Across the Human Placenta Barrier
Di Filippo, Juan I., Bollini, Mariela, Cavasotto, Claudio N.
Published in Frontiers in chemistry (20.07.2021)
Published in Frontiers in chemistry (20.07.2021)
Get full text
Journal Article
Correction: An Exact Expression to Calculate the Derivatives of Position-Dependent Observables in Molecular Simulations with Flexible Constraints
Echenique, Pablo, Cavasotto, Claudio N, De Marco, Monica, García-Risueño, Pablo, Alonso, J L
Published in PloS one (06.12.2017)
Published in PloS one (06.12.2017)
Get full text
Journal Article
Discovery of Novel Chemotypes to a G-Protein-Coupled Receptor through Ligand-Steered Homology Modeling and Structure-Based Virtual Screening
Cavasotto, Claudio N, Orry, Andrew J. W, Murgolo, Nicholas J, Czarniecki, Michael F, Kocsi, Sue Ann, Hawes, Brian E, O’Neill, Kim A, Hine, Heather, Burton, Marybeth S, Voigt, Johannes H, Abagyan, Ruben A, Bayne, Marvin L, Monsma, Frederick J
Published in Journal of medicinal chemistry (14.02.2008)
Published in Journal of medicinal chemistry (14.02.2008)
Get full text
Journal Article
2,3‐Dihydro‐1‐Benzofuran Derivatives as a Series of Potent Selective Cannabinoid Receptor 2 Agonists: Design, Synthesis, and Binding Mode Prediction through Ligand‐Steered Modeling
Diaz, Philippe, Phatak, Sharangdhar S., Xu, Jijun, Fronczek, Frank R., Astruc‐Diaz, Fanny, Thompson, Charles M., Cavasotto, Claudio N., Naguib, Mohamed
Published in ChemMedChem (01.10.2009)
Published in ChemMedChem (01.10.2009)
Get full text
Journal Article
Functional and druggability analysis of the SARS-CoV-2 proteome
Cavasotto, Claudio N., Lamas, Maximiliano Sánchez, Maggini, Julián
Published in European journal of pharmacology (05.01.2021)
Published in European journal of pharmacology (05.01.2021)
Get full text
Journal Article
Exponential consensus ranking improves the outcome in docking and receptor ensemble docking
Palacio-Rodríguez, Karen, Lans, Isaias, Cavasotto, Claudio N, Cossio, Pilar
Published in Scientific reports (26.03.2019)
Published in Scientific reports (26.03.2019)
Get full text
Journal Article