Claudio N. Cavasotto

Consejo Nacional de Investigaciones Científicas y Técnicas — Argentina

Computer Science · Physical Sciences

40h-index5.5kcitations109works1.72yr avg
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Research Topics

Computational Drug Discovery Methods(51), Protein Structure and Dynamics(28), Receptor Mechanisms and Signaling(15), Monoclonal and Polyclonal Antibodies Research(10), Click Chemistry and Applications(10)

Publications109 total

Enhancing the Reliability of Integrated Consensus Strategies to Boost Docking‐Based Screening Campaigns Using Publicly Available Docking Programs
Molecular Informatics·2025· 1 cited
Assessing the Robustness and Scalability of Machine Learning Methods to Accelerate Ultralarge High-Throughput Docking Campaigns
ACS Omega·2025Open Access
Lessons learnt from machine learning in early stages of drug discovery
Expert Opinion on Drug Discovery·2024· 4 citedOpen Access
The Impact of Supervised Learning Methods in Ultralarge High-Throughput Docking
Journal of Chemical Information and Modeling·2023· 29 cited
How good are AlphaFold models for docking-based virtual screening?
iScience·2022· 172 citedOpen Access
Machine Learning Toxicity Prediction: Latest Advances by Toxicity End Point
ACS Omega·2022· 175 citedOpen Access
Editorial: Development of COVID-19 therapies: Lessons learnt and ongoing efforts
Frontiers in Drug Discovery·2022· 1 citedOpen Access
How good are AlphaFold models for docking-based virtual screening?
2022· 10 citedOpen Access
Insights into the product release mechanism of dengue virus NS3 helicase
Nucleic Acids Research·2022· 10 citedOpen Access
Solvent effects on the NMR shieldings of stacked DNA base pairs
Physical Chemistry Chemical Physics·2022Open Access
Guided structure-based ligand identification and design via artificial intelligence modeling
Expert Opinion on Drug Discovery·2021· 11 cited
Evaluation of Silicone Fluids and Resins as CO<sub>2</sub> Thickeners for Enhanced Oil Recovery Using a Computational and Experimental Approach
ACS Omega·2021· 15 citedOpen Access
Combination of pose and rank consensus in docking-based virtual screening: the best of both worlds
2021· 2 citedOpen Access
Combination of pose and rank consensus in docking-based virtual screening: the best of both worlds
2021· 1 citedOpen Access
A Machine Learning Model to Predict Drug Transfer Across the Human Placenta Barrier
Frontiers in Chemistry·2021· 22 citedOpen Access
Combination of pose and rank consensus in docking-based virtual screening: the best of both worlds
RSC Advances·2021· 37 citedOpen Access
Artificial intelligence in the early stages of drug discovery
Archives of Biochemistry and Biophysics·2020· 57 cited
Functional and druggability analysis of the SARS-CoV-2 proteome
European Journal of Pharmacology·2020· 39 citedOpen Access
Bioinformatic analysis of RHO family of GTPases identifies RAC1 pharmacological inhibition as a new therapeutic strategy for hepatocellular carcinoma
Gut·2020· 26 cited
Reposicionamiento de fármacos para SARS-CoV-2: nuevos usos para drogas ya aprobadas - COVID 19
2020
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Frequent Co-authors

Ruben Abagyan(10), Sharangdhar S. Phatak(6), M. Gabriela Aucar(6), Andrew Orry(5), Michael J. Garabedian(3), Valeria Scardino(3), Juan I. Di Filippo(3), Natalia S. Adler(3), Philippe Diaz(3), Fanny Astruc‐Diaz(3), Mariela Bollini(3), Julio Kovacs(2), Thoa Dang(2), Inez Rogatsky(2), Susan K. Logan(2), Mario Rossi(2), Edgar A. Gatica(2), Jijun Xu(2), Mohamed Naguib(2), Maria Chiara Monti(2)