Davide Provasi
Icahn School of Medicine at Mount Sinai
H-index: 33
North America-United States
Top articles of Davide Provasi
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Allosteric communication across the μ-opioid receptor-Gi1 protein complex induced by ligands of varying efficacy | Biophysical Journal | Bianca Fiorillo Rikhia Ghosh Kirill Konovalov Davide Provasi Marta Filizola | 2024/2/8 |
Leveraging protein language models and graph convolutional neural networks for accurate prediction of ligand bioactivity in class AG protein-coupled receptors | Biophysical Journal | Davide Provasi Nicholas Riina Olivia Cullen Marta Filizola | 2024/2/8 |
Transfer learning of deep hybrid ligand-based and structure-based drug discovery schemes for improved prediction of opioid ligands’ bioactivity | Biophysical Journal | Davide Provasi Marta Filizola | 2024/2/8 |
Structural insights into the unexpected agonism of tetracyclic antidepressants at serotonin receptors 5-HT1eR and 5-HT1FR | Science Advances | Gregory Zilberg Alexandra K Parpounas Audrey L Warren Bianca Fiorillo Davide Provasi | 2024/4/17 |
Gαs slow conformational transition upon GTP binding and a novel Gαs regulator | Iscience | Donghoon Ahn Davide Provasi Nguyen Minh Duc Jun Xu Leslie Salas-Estrada | 2023/5/19 |
AI-assisted de novo design of selective κ-opioid receptor antagonists for the treatment of opioid addiction | Biophysical Journal | Letty Leslie Ann Salas Estrada Davide Provasi Joao Marcelo Lamim Ribeiro Bianca Fiorillo Marta Filizola | 2023/2/10 |
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 | Davide Provasi Marta Filizola | 2023/12/12 |
De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework | Journal of Chemical Information and Modeling | Leslie Salas-Estrada Davide Provasi Xing Qiu Husnu Ümit Kaniskan Xi-Ping Huang | 2023/8/9 |
Long-lived conformational changes in active Gsα revealed in atomistic detail by integrating HDX-MS with enhanced molecular dynamics simulations | Biophysical Journal | Davide Provasi Aleksandar Spasic Nguyen Minh Duc Yang Du Donghoon Ahn | 2022/2/11 |
Markov State Model Analysis of Dynamic Dimerization Interfaces between Transmembrane Domains of Metabotropic Glutamate Receptors | Biophysical Journal | Joao Marcelo Lamim Ribeiro Leslie A Salas-Estrada Davide Provasi Jordana K Thibado Josh T Levitz | 2021/2/12 |
A novel mitragynine analog with low-efficacy mu opioid receptor agonism displays antinociception with attenuated adverse effects | Journal of medicinal chemistry | Soumen Chakraborty Jeffrey F DiBerto Abdelfattah Faouzi Sarah M Bernhard Anna M Gutridge | 2021/9/10 |
Differences in interactions between transmembrane domains tune the activation of metabotropic glutamate receptors | Elife | Jordana K Thibado Jean-Yves Tano Joon Lee Leslie Salas-Estrada Davide Provasi | 2021/4/21 |
Cryo-electron microscopy structure of the αIIbβ3-abciximab complex | Arteriosclerosis, thrombosis, and vascular biology | Dragana Nešić Yixiao Zhang Aleksandar Spasic Jihong Li Davide Provasi | 2020/3 |
Predicted Mode of Binding to and Allosteric Modulation of the μ-Opioid Receptor by Kratom’s Alkaloids with Reported Antinociception In Vivo | Biochemistry | Yuchen Zhou Steven Ramsey Davide Provasi Amal El Daibani Kevin Appourchaux | 2020/12/4 |
Mechanism of μ-opioid receptor-magnesium interaction and positive allosteric modulation | Biophysical journal | Xiaohu Hu Davide Provasi Steven Ramsey Marta Filizola | 2020/2/25 |
Atomic-level characterization of the methadone-stabilized active conformation of µ-opioid receptor | Molecular Pharmacology | Abhijeet Kapoor Davide Provasi Marta Filizola | 2020/10/1 |
Efficient Prediction of the Effect of Mutations on the Activation Kinetics of G Protein-Coupled Receptors Using a Maximum Caliber Approach | Biophysical Journal | Steven Ramsey Davide Provasi Jan Moeller Martin Lohse Marta Filizola | 2020/2/7 |
A combination of machine learning and infrequent metadynamics to efficiently predict kinetic rates, transition states, and molecular determinants of drug dissociation from G … | The Journal of Chemical Physics | João Marcelo Lamim Ribeiro Davide Provasi Marta Filizola | 2020/9/28 |
Molecular Dynamicssimulations of A 2.8-Å Resolution Cryo-EM Structure of the αIIbβ3-Abciximab Complex | Biophysical Journal | Aleksandar Spasic Davide Provasi Dragana Nesic Yixiao Zhang Jihong Li | 2020/2/7 |
GPCRmd uncovers the dynamics of the 3D-GPCRome | Nature Methods | Ismael Rodríguez-Espigares Mariona Torrens-Fontanals Johanna KS Tiemann David Aranda-García Juan Manuel Ramírez-Anguita | 2020/8/2 |
Co-Authors
