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Michele Parrinello

Senior Researcher - Principal Investigator
Atomistic Simulations
Phone
+39 010 2897 439
Research center
CHT@Erzelli
All Publications
2024
Faran M., Ray D., Nag S., Raucci U., Parrinello M., Bisker G.
A Stochastic Landscape Approach for Protein Folding State Classification
Journal of Chemical Theory and Computation
DOI 10.1021/acs.jctc.4c00464
Article Journal
2024
Ruiz Munevar M.J., Rizzi V., Portioli C., Vidossich P., Cao E., Parrinello M., Cancedda L., De Vivo M.
Cation Chloride Cotransporter NKCC1 Operates through a Rocking-Bundle Mechanism
Journal of the American Chemical Society
DOI 10.1021/jacs.3c10258
Article Journal
2024
Kang P., Trizio E., Parrinello M.
Computing the committor with the committor to study the transition state ensemble
Nature Computational Science, vol. 4, (no. 6), pp. 451-460
DOI 10.1038/s43588-024-00645-0
Article Journal
2024
Ray D., Parrinello M.
Data-driven classification of ligand unbinding pathways
Proceedings of the National Academy of Sciences of the United States of America, vol. 121, (no. 10)
DOI 10.1073/pnas.2313542121
2024
Mullender L., Rizzi A., Parrinello M., Carloni P., Mandelli D.
Effective data-driven collective variables for free energy calculations from metadynamics of paths
PNAS Nexus, vol. 3, (no. 4)
DOI 10.1093/pnasnexus/pgae159
Article Journal
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Scientific Talks
2024
Trizio E., Kang P., Parrinello M.
Computing the committor using the committor to study the transitions state ensemble
CSI workshop 2024 - Princeton University
Workshop/Symposium
2021
Parrinello M.
Artificial Intelligence meets Atomistic Simulations
Summit on Artificial Intelligence G20 Event
Workshop/Symposium
2021
Parrinello M.
Keynote Speaker
INM-IBI Retreat
Workshop/Symposium
2021
Parrinello M.
Machine Learning and Molecular Dynamics
Thomas Young Centre 15th Anniversary
Workshop/Symposium
2021
Parrinello M.
Machine Learning and Molecular Dynamics
Innovative Strategies for Neurodegenerative Diseases CECAM Pisa
Workshop/Symposium
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Oral presentations
2021
Bonati L., Parrinello M.
Building machine learning potentials for reactive events using enhanced sampling methods
ML-IP Psi-k Young & Early Career Researchers' Workshop
Conference
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Awards and Achievements
2024
Parrinello M.
Clarivate Citation Laureate
2024
Parrinello M.
Foreign Member of the Chinese Academy of science
2021
Parrinello M.
Giulio Natta Medal
2020
Parrinello M.
Benjamin Franklin Medal in Chemistry
2020
Parrinello M.
The European Chemistry Gold Medal
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Colleagues of Atomistic Simulations
Simone Perego PhD Student Fellow Atomistic Simulations
Enrico Trizio Post Doc Atomistic Simulations
Michele Giovanni Bianchi Guest Student Atomistic Simulations
Elisa Vigo Support Administrative Assistant Atomistic Simulations Computational mOdelling of NanosCalE and bioPhysical sysTems Computational Statistics and Machine Learning Integrative Nuclear Architecture
Luigi Bonati Researcher Atomistic Simulations
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