Michele Parrinello (M Parrinello)

ORCID

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 30

Top Venues

Journal of chemical theory and computation

Proceedings of the National Academy of Sciences of the United States of America

Nature communications

The Journal of chemical physics

Italian Institute of Technology

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

Affiliation History

Italian Institute of Technology

Italy

Prof. in Computational Sciences

Università della Svizzera Italiana

Switzerland

Prof. in Computational Sciences :: Informatica

ETH Zurich

Switzerland

Prof. in Computational Sciences :: Department of Chemistry and Appl. Biosciences

Publications

Michael Faran, Dhiman Ray, Shubhadeep Nag, Umberto Raucci, Michele Parrinello, Gili Bisker
A Stochastic Landscape Approach for Protein Folding State Classification. Journal of chemical theory and computation (2024)
Michael Faran, Dhiman Ray, Shubhadeep Nag, Umberto Raucci, Michele Parrinello, Gili Bisker
A Stochastic Landscape Approach for Protein Folding State Classification. Journal of chemical theory and computation 20 (13) (2024)
Michael Faran, Dhiman Ray, Shubhadeep Nag, Umberto Raucci, Michele Parrinello, Gili Bisker
A Stochastic Landscape Approach for Protein Folding State Classification. Journal of chemical theory and computation 20 (13) (2024)
Pei-Lin Kang, Enrico Trizio, Michele Parrinello
Computing the committor with the committor to study the transition state ensemble. Nature computational science 4 (6) (2024)
Manyi Yang, Enrico Trizio, Michele Parrinello
Structure and polymerization of liquid sulfur across the λ-transition. Chemical science 15 (9) (2024)
Dhiman Ray, Michele Parrinello
Data-driven classification of ligand unbinding pathways. Proceedings of the National Academy of Sciences of the United States of America 121 (10) (2024)
Pei-Lin Kang, Enrico Trizio, Michele Parrinello
Computing the committor with the committor to study the transition state ensemble. Nature computational science (2024)
Michael Faran, Dhiman Ray, Shubhadeep Nag, Umberto Raucci, Michele Parrinello, Gili Bisker
Correction to A Stochastic Landscape Approach for Protein Folding State Classification. Journal of chemical theory and computation (2024)
Dhiman Ray, Michele Parrinello
Data-driven classification of ligand unbinding pathways. Proceedings of the National Academy of Sciences of the United States of America 121 (10) (2024)
Michael Faran, Dhiman Ray, Shubhadeep Nag, Umberto Raucci, Michele Parrinello, Gili Bisker
Correction to A Stochastic Landscape Approach for Protein Folding State Classification. Journal of chemical theory and computation (2024)
Michael Faran, Dhiman Ray, Shubhadeep Nag, Umberto Raucci, Michele Parrinello, Gili Bisker
A Stochastic Landscape Approach for Protein Folding State Classification. Journal of chemical theory and computation 20 (13) (2024)
Manyi Yang, Enrico Trizio, Michele Parrinello
Structure and polymerization of liquid sulfur across the λ-transition. Chemical science 15 (9) (2024)
Pengchao Zhang, Axel Tosello Gardini, Xuefei Xu, Michele Parrinello
Intramolecular and Water Mediated Tautomerism of Solvated Glycine. Journal of chemical information and modeling (2024)
Lukas Müllender, Andrea Rizzi, Michele Parrinello, Paolo Carloni, Davide Mandelli
Effective data-driven collective variables for free energy calculations from metadynamics of paths. PNAS nexus 3 (4) (2024)
Pengchao Zhang, Axel Tosello Gardini, Xuefei Xu, Michele Parrinello
Intramolecular and Water Mediated Tautomerism of Solvated Glycine. Journal of chemical information and modeling 64 (9) (2024)
Michael Faran, Dhiman Ray, Shubhadeep Nag, Umberto Raucci, Michele Parrinello, Gili Bisker
Correction to A Stochastic Landscape Approach for Protein Folding State Classification. Journal of chemical theory and computation (2024)
Dhiman Ray, Michele Parrinello
Data-driven classification of ligand unbinding pathways. Proceedings of the National Academy of Sciences of the United States of America 121 (10) (2024)
Lukas Müllender, Andrea Rizzi, Michele Parrinello, Paolo Carloni, Davide Mandelli
Effective data-driven collective variables for free energy calculations from metadynamics of paths. PNAS nexus 3 (4) (2024)
Dhiman Ray, Michele Parrinello
Data-driven classification of ligand unbinding pathways. Proceedings of the National Academy of Sciences of the United States of America 121 (10) (2024)
Michael Faran, Dhiman Ray, Shubhadeep Nag, Umberto Raucci, Michele Parrinello, Gili Bisker
A Stochastic Landscape Approach for Protein Folding State Classification. Journal of chemical theory and computation 20 (13) (2024)
Luigi Bonati, Enrico Trizio, Andrea Rizzi, Michele Parrinello
A unified framework for machine learning collective variables for enhanced sampling simulations: mlcolvar. The Journal of chemical physics 159 (1) (2023)
Dhiman Ray, Enrico Trizio, Michele Parrinello
Deep learning collective variables from transition path ensemble. The Journal of chemical physics 158 (20) (2023)
Andrea Rizzi, Paolo Carloni, Michele Parrinello
Free energies at QM accuracy from force fields via multimap targeted estimation. Proceedings of the National Academy of Sciences of the United States of America 120 (46) (2023)
Narjes Ansari, Valerio Rizzi, Michele Parrinello
Water regulates the residence time of Benzamidine in Trypsin. Nature communications 13 (1) (2022)
Davide Mandelli, Michele Parrinello
A modified nudged elastic band algorithm with adaptive spring lengths. The Journal of chemical physics 155 (7) (2021)
Valerio Rizzi, Luigi Bonati, Narjes Ansari, Michele Parrinello
The role of water in host-guest interaction. Nature communications 12 (1) (2021)
Emanuele Grifoni, GiovanniMaria Piccini, Johannes A Lercher, Vassiliki-Alexandra Glezakou, Roger Rousseau, Michele Parrinello
Confinement effects and acid strength in zeolites. Nature communications 12 (1) (2021)
Paramvir Ahlawat, Alexander Hinderhofer, Essa A Alharbi, Haizhou Lu, Amita Ummadisingu, Haiyang Niu, Michele Invernizzi, Shaik Mohammed Zakeeruddin, M Ibrahim Dar, Frank Schreiber, Anders Hagfeldt, Michael Grätzel, Ursula Röthlisberger, Michele Parrinello
A combined molecular dynamics and experimental study of two-step process enabling low-temperature formation of phase-pure α-FAPbI3. Science advances 7 (17) (2021)
Haiyang Niu, Luigi Bonati, Pablo M Piaggi, Michele Parrinello
Ab initio phase diagram and nucleation of gallium. Nature communications 11 (1) (2020)
Valerio Rizzi, Daniela Polino, Emilia Sicilia, Nino Russo, Michele Parrinello
The Onset of Dehydrogenation in Solid Ammonia Borane: An Ab Initio Metadynamics Study. Angewandte Chemie (International ed. in English) 58 (12) (2019)

Michele Parrinello.css-eqlu8i{font-size:small;padding-left:4px;} (M Parrinello)

Publication Activity (10 Years)

Top Topics

Top Venues

Michele Parrinello (M Parrinello)