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Page 1
From Enhanced Sampling to Reaction Profiles.
Trizio E, Parrinello M. Trizio E, et al. Among authors: parrinello m. J Phys Chem Lett. 2021 Sep 9;12(35):8621-8626. doi: 10.1021/acs.jpclett.1c02317. Epub 2021 Sep 1. J Phys Chem Lett. 2021. PMID: 34469175
Quantum Symmetry from Enhanced Sampling Methods.
Runeson J, Nava M, Parrinello M. Runeson J, et al. Among authors: parrinello m. Phys Rev Lett. 2018 Oct 5;121(14):140602. doi: 10.1103/PhysRevLett.121.140602. Phys Rev Lett. 2018. PMID: 30339452
Combining Metadynamics and Integrated Tempering Sampling.
Yang YI, Niu H, Parrinello M. Yang YI, et al. Among authors: parrinello m. J Phys Chem Lett. 2018 Nov 15;9(22):6426-6430. doi: 10.1021/acs.jpclett.8b03005. Epub 2018 Oct 26. J Phys Chem Lett. 2018. PMID: 30354148
Enhanced Sampling of Transition States.
Debnath J, Invernizzi M, Parrinello M. Debnath J, et al. Among authors: parrinello m. J Chem Theory Comput. 2019 Apr 9;15(4):2454-2459. doi: 10.1021/acs.jctc.8b01283. Epub 2019 Mar 6. J Chem Theory Comput. 2019. PMID: 30779567
Accurate Quantum Chemical Free Energies at Affordable Cost.
Piccini G, Parrinello M. Piccini G, et al. Among authors: parrinello m. J Phys Chem Lett. 2019 Jul 5;10(13):3727-3731. doi: 10.1021/acs.jpclett.9b01301. Epub 2019 Jun 21. J Phys Chem Lett. 2019. PMID: 31244270
Data-Driven Collective Variables for Enhanced Sampling.
Bonati L, Rizzi V, Parrinello M. Bonati L, et al. Among authors: parrinello m. J Phys Chem Lett. 2020 Apr 16;11(8):2998-3004. doi: 10.1021/acs.jpclett.0c00535. Epub 2020 Apr 2. J Phys Chem Lett. 2020. PMID: 32239945
395 results