Molecular Dynamics and Machine Learning Give Insights on the Flexibility–Activity Relationships in Tyrosine Kinome

Author:

Majumdar Sarmistha1,Di Palma Francesco1ORCID,Spyrakis Francesca2ORCID,Decherchi Sergio3ORCID,Cavalli Andrea14ORCID

Affiliation:

1. Computational & Chemical Biology, Fondazione Istituto Italiano di Tecnologia, Via Morego 30, I-16163 Genova, Italy

2. Department of Drug Science and Technology, University of Turin, via Giuria 9, I-10125 Turin, Italy

3. Data Science and Computation, Fondazione Istituto Italiano di Tecnologia, Via Morego 30, I-16163 Genova, Italy

4. Department of Pharmacy and Biotechnology, University of Bologna, Via Belmeloro 6, I-40126 Bologna, Italy

Funder

Partnership for Advanced Computing in Europe AISBL

Università degli Studi di Torino, Ricerca Locale 2021

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

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