Davide Provasi

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 5

Top Topics

Machine Learning

Molecular Dynamics Simulations

Single Molecule

Top Venues

The Journal of chemical physics

Journal of chemical information and modeling

Molecular pharmacology

Icahn School of Medicine at Mount Sinai

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Icahn School of Medicine at Mount Sinai Jun 1o 2012

United States

Assistant Professor :: Pharmacological Sciences

Publications

Leslie Salas-Estrada, Davide Provasi, Xing Qiu, Husnu Ümit Kaniskan, Xi-Ping Huang, Jeffrey F DiBerto, João Marcelo Lamim Ribeiro, Jian Jin, Bryan L Roth, Marta Filizola
De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework. Journal of chemical information and modeling (2023)
Jordana K Thibado, Jean-Yves Tano, Joon Lee, Leslie Salas-Estrada, Davide Provasi, Alexa Strauss, Joao Marcelo Lamim Ribeiro, Guoqing Xiang, Johannes Broichhagen, Marta Filizola, Martin J Lohse, Joshua Levitz
Differences in interactions between transmembrane domains tune the activation of metabotropic glutamate receptors. eLife 10 (2021)
João Marcelo Lamim Ribeiro, Davide Provasi, Marta Filizola
A combination of machine learning and infrequent metadynamics to efficiently predict kinetic rates, transition states, and molecular determinants of drug dissociation from G protein-coupled receptors. The Journal of chemical physics 153 (12) (2021)
Abhijeet Kapoor, Davide Provasi, Marta Filizola
Atomic-Level Characterization of the Methadone-Stabilized Active Conformation of µ-Opioid Receptor. Molecular pharmacology 98 (4) (2020)
Derya Meral, Davide Provasi, Marta Filizola
An efficient strategy to estimate thermodynamics and kinetics of G protein-coupled receptor activation using metadynamics and maximum caliber. The Journal of chemical physics 149 (22) (2019)