Davide Provasi
Icahn School of Medicine at Mount Sinai
H-index: 33
North America-United States
Top articles of Davide Provasi
Structural insights into the unexpected agonism of tetracyclic antidepressants at serotonin receptors 5-HT1eR and 5-HT1FR
Science Advances
2024/4/17
Allosteric communication across the μ-opioid receptor-Gi1 protein complex induced by ligands of varying efficacy
Biophysical Journal
2024/2/8
Davide Provasi
H-Index: 22
Marta Filizola
H-Index: 31
Leveraging protein language models and graph convolutional neural networks for accurate prediction of ligand bioactivity in class AG protein-coupled receptors
Biophysical Journal
2024/2/8
Davide Provasi
H-Index: 22
Marta Filizola
H-Index: 31
Transfer learning of deep hybrid ligand-based and structure-based drug discovery schemes for improved prediction of opioid ligands’ bioactivity
Biophysical Journal
2024/2/8
Davide Provasi
H-Index: 22
Marta Filizola
H-Index: 31
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
2023/12/12
Davide Provasi
H-Index: 22
Marta Filizola
H-Index: 31
De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework
Journal of Chemical Information and Modeling
2023/8/9
Gαs slow conformational transition upon GTP binding and a novel Gαs regulator
Iscience
2023/5/19
AI-assisted de novo design of selective κ-opioid receptor antagonists for the treatment of opioid addiction
Biophysical Journal
2023/2/10
Davide Provasi
H-Index: 22
Marta Filizola
H-Index: 31
Long-lived conformational changes in active Gsα revealed in atomistic detail by integrating HDX-MS with enhanced molecular dynamics simulations
Biophysical Journal
2022/2/11
A novel mitragynine analog with low-efficacy mu opioid receptor agonism displays antinociception with attenuated adverse effects
Journal of medicinal chemistry
2021/9/10
Soumen Chakraborty
H-Index: 5
Steven Ramsey
H-Index: 8
Yuchen Zhou
H-Index: 4
Davide Provasi
H-Index: 22
Marta Filizola
H-Index: 31
Differences in interactions between transmembrane domains tune the activation of metabotropic glutamate receptors
Elife
2021/4/21
Joon Lee
H-Index: 12
Davide Provasi
H-Index: 22
Guoqing Xiang
H-Index: 5
Marta Filizola
H-Index: 31
Joshua Levitz
H-Index: 20
Markov State Model Analysis of Dynamic Dimerization Interfaces between Transmembrane Domains of Metabotropic Glutamate Receptors
Biophysical Journal
2021/2/12
Davide Provasi
H-Index: 22
Marta Filizola
H-Index: 31
Efficient Prediction of the Effect of Mutations on the Activation Kinetics of G Protein-Coupled Receptors Using a Maximum Caliber Approach
Biophysical Journal
2020/2/7
Molecular Dynamicssimulations of A 2.8-Å Resolution Cryo-EM Structure of the αIIbβ3-Abciximab Complex
Biophysical Journal
2020/2/7
Atomic-Level Characterization of the Distinct Methadone-Induced Conformational Sampling and Activation Kinetics of the µ-Opioid Receptor by Molecular Simulations
Biophysical Journal
2020/2/7
Davide Provasi
H-Index: 22
Marta Filizola
H-Index: 31
Predicted Mode of Binding to and Allosteric Modulation of the μ-Opioid Receptor by Kratom’s Alkaloids with Reported Antinociception In Vivo
Biochemistry
2020/12/4
Atomic-level characterization of the methadone-stabilized active conformation of µ-opioid receptor
Molecular Pharmacology
2020/10/1
Davide Provasi
H-Index: 22
Marta Filizola
H-Index: 31
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
2020/9/28
Davide Provasi
H-Index: 22
Marta Filizola
H-Index: 31
GPCRmd uncovers the dynamics of the 3D-GPCRome
Nature Methods
2020/8/2
Ismael Rodríguez-Espigares
H-Index: 6
Mariona Torrens-Fontanals
H-Index: 4
Nathalie Worp
H-Index: 2
Alejandro Varela-Rial
H-Index: 4
Jens Carlsson
H-Index: 21
Slawomir Filipek
H-Index: 31
Marta Filizola
H-Index: 31
Angel Gonzalez
H-Index: 2
Hugo Gutierrez-De-Teran
H-Index: 21
Peter Kolb
H-Index: 21
Dorota Latek
H-Index: 12
Minos-Timotheos Matsoukas
H-Index: 13
Davide Provasi
H-Index: 22
Silvana Vasile
H-Index: 5
Harel Weinstein
H-Index: 41
Ulrich Zachariae
H-Index: 24
Arnau Cordomi
H-Index: 19
Jana Selent
H-Index: 18
Cryo-electron microscopy structure of the αIIbβ3-abciximab complex
Arteriosclerosis, thrombosis, and vascular biology
2020/3
Co-Authors
