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Marta Filizola

2PUBLICATIONS

1CO-AUTHORS

Cheminformatics and quantitative structure-activity relationshipsStatistical mechanics in chemistry

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Publications (2)

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|Oct 02, 2020

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.

João Marcelo Lamim Ribeiro, Davide Provasi, Marta Filizola

|Dec 17, 2018

An efficient strategy to estimate thermodynamics and kinetics of G protein-coupled receptor activation using metadynamics and maximum caliber.

Derya Meral, Davide Provasi, Marta Filizola

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Frequent Collaborators

2 joint publications

Davide Provasi

Frequent Collaborators

2 joint publications

Davide Provasi

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