Davide Provasi

Icahn School of Medicine at Mount Sinai — United States

Biochemistry, Genetics and Molecular Biology · Life Sciences

32h-index6.4kcitations146works1.52yr avg
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Research Topics

Receptor Mechanisms and Signaling(73), Neuropeptides and Animal Physiology(46), Protein Structure and Dynamics(29), Computational Drug Discovery Methods(17), Mass Spectrometry Techniques and Applications(16)

Publications146 total

Structural and dynamic studies uncover a distinct allosteric modulatory site at the μ-opioid receptor
2025Open Access
BOLD-GPCRs: A Transformer-Powered App for Predicting Ligand Bioactivity and Mutational Effects Across Class A GPCRs
2025Open Access
Synthesis and Characterization of Photoswitchable Covalent Ligands for the β <sub>2</sub> ‐Adrenoceptor
Angewandte Chemie·2025Open Access
Synthesis and Characterization of Photoswitchable Covalent Ligands for the β <sub>2</sub> ‐Adrenoceptor
Angewandte Chemie International Edition·2025· 1 citedOpen Access
Fine-Tuned Deep Transfer Learning Models for Large Screenings of Safer Drugs Targeting Class A GPCRs
Biochemistry·2025· 3 citedOpen Access
BPS2025 - Elucidating the molecular logic of a metabotropic glutamate receptor heterodimer
Biophysical Journal·2025
Fine-Tuned Deep Transfer Learning Models for Large Screenings of Safer Drugs Targeting Class A GPCRs
2024Open Access
Elucidating the molecular logic of a metabotropic glutamate receptor heterodimer
Nature Communications·2024· 8 citedOpen Access
De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework
UNC Libraries·2024Open Access
A Novel Mitragynine Analog with Low-Efficacy Mu Opioid Receptor Agonism Displays Antinociception with Attenuated Adverse Effects
UNC Libraries·2024Open Access
Structural insights into the unexpected agonism of tetracyclic antidepressants at serotonin receptors 5-HT <sub>1e</sub> R and 5-HT <sub>1F</sub> R
Science Advances·2024· 6 citedOpen Access
Leveraging protein language models and graph convolutional neural networks for accurate prediction of ligand bioactivity in class A G protein-coupled receptors
Biophysical Journal·2024Open Access
Allosteric communication across the μ-opioid receptor-Gi1 protein complex induced by ligands of varying efficacy
Biophysical Journal·2024· 1 citedOpen Access
Transfer learning of deep hybrid ligand-based and structure-based drug discovery schemes for improved prediction of opioid ligands’ bioactivity
Biophysical Journal·2024· 2 citedOpen Access
Enhancing Opioid Bioactivity Predictions through Integration of Ligand-Based and Structure-Based Drug Discovery Strategies with Transfer and Deep Learning Techniques
The Journal of Physical Chemistry B·2023· 12 citedOpen Access
Opioid classifiers: dataset sharing for submission Cot 31, 2023
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Opioid classifiers: dataset sharing for submission Cot 31, 2023
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Structural Insights into the Unexpected Agonism of Tetracyclic Antidepressants at Serotonin Receptors 5-HT <sub>1e</sub> R and 5-HT <sub>1F</sub> R
2023Open Access
De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework
Journal of Chemical Information and Modeling·2023· 19 citedOpen Access
Enhancing Opioid Bioactivity Predictions through Integration of Ligand-Based and Structure-Based Drug Discovery Strategies with Transfer and Deep Learning Techniques
2023· 1 citedOpen Access
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Frequent Co-authors

Marta Filizola(36), Ricardo A. Broglia(9), Guido Tiana(7), Carlo Camilloni(4), Ana Negri(4), Barry S. Coller(4), Jennifer M. Johnston(4), Massimiliano Bonomi(3), Michele Parrinello(3), P. Impicciatore(3), Chiara Pandolfini(3), Maurizio Bonati(3), Jonathan A. Javitch(3), Steven Ramsey(3), Abhijeet Kapoor(3), João Marcelo Lamim Ribeiro(3), Leslie Salas-Estrada(3), Davide Branduardi(2), Giovanni Bussi(2), Paolo Raiteri(2)