In silico Drug Repurposing for COVID‐19: Targeting SARS‐CoV‐2 Proteins through Docking and Consensus Ranking von Cavasotto, Claudio N., Di Filippo, Juan I.

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Binding Free Energy Calculation Using Quantum Mechanics Aimed for Drug Lead Optimization von Cavasotto, Claudio N.

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Machine Learning Toxicity Prediction: Latest Advances by Toxicity End Point von Cavasotto, Claudio N., Scardino, Valeria

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Open challenges in structure-based virtual screening: Receptor modeling, target flexibility consideration and active site water molecules description von Spyrakis, Francesca, Cavasotto, Claudio N.

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Exponential consensus ranking improves the outcome in docking and receptor ensemble docking von Palacio-Rodríguez, Karen, Lans, Isaias, Cavasotto, Claudio N., Cossio, Pilar

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Functional and druggability analysis of the SARS-CoV-2 proteome von Cavasotto, Claudio N., Lamas, Maximiliano Sánchez, Maggini, Julián

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How good are AlphaFold models for docking-based virtual screening? von Scardino, Valeria, Di Filippo, Juan I., Cavasotto, Claudio N.

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Combination of pose and rank consensus in docking-based virtual screening: the best of both worlds von Scardino, Valeria, Bollini, Mariela, Cavasotto, Claudio N

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Artificial intelligence in the early stages of drug discovery von Cavasotto, Claudio N., Di Filippo, Juan I.

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Homology modeling in drug discovery: current trends and applications von Cavasotto, Claudio N., Phatak, Sharangdhar S.

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The Impact of Supervised Learning Methods in Ultralarge High-Throughput Docking von Cavasotto, Claudio N., Di Filippo, Juan I.

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Expanding the horizons of G protein-coupled receptor structure-based ligand discovery and optimization using homology models von Cavasotto, Claudio N, Palomba, Damián

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Computational chemistry in drug lead discovery and design von Cavasotto, Claudio N., Aucar, María Gabriela, Adler, Natalia S.

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Molecular Docking Using Quantum Mechanical-Based Methods von Aucar, M. Gabriela, Cavasotto, Claudio N.

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High-Throughput Docking Using Quantum Mechanical Scoring von Cavasotto, Claudio N, Aucar, M Gabriela

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Protein Flexibility in Ligand Docking and Virtual Screening to Protein Kinases von Cavasotto, Claudio N., Abagyan, Ruben A.

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Ligand and Decoy Sets for Docking to G Protein-Coupled Receptors von Gatica, Edgar A, Cavasotto, Claudio N

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The ULK1-FBXW5-SEC23B nexus controls autophagy von 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

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Quantum Chemical Approaches in Structure-Based Virtual Screening and Lead Optimization von Cavasotto, Claudio N, Adler, Natalia S, Aucar, Maria G

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Glucocorticoid Receptor Phosphorylation Differentially Affects Target Gene Expression von Chen, Weiwei, Dang, Thoa, Blind, Raymond D, Wang, Zhen, Cavasotto, Claudio N, Hittelman, Adam B, Rogatsky, Inez, Logan, Susan K, Garabedian, Michael J

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