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Absolute Binding Free Energies with OneOPES.
Karrenbrock M, Borsatto A, Rizzi V, Lukauskis D, Aureli S, Luigi Gervasio F. Karrenbrock M, et al. Among authors: rizzi v. J Phys Chem Lett. 2024 Oct 3;15(39):9871-9880. doi: 10.1021/acs.jpclett.4c02352. Epub 2024 Sep 20. J Phys Chem Lett. 2024. PMID: 39302888 Free PMC article.
Path integral molecular dynamics for bosons.
Hirshberg B, Rizzi V, Parrinello M. Hirshberg B, et al. Among authors: rizzi v. Proc Natl Acad Sci U S A. 2019 Oct 22;116(43):21445-21449. doi: 10.1073/pnas.1913365116. Epub 2019 Oct 7. Proc Natl Acad Sci U S A. 2019. PMID: 31591226 Free PMC article.
Inelastic electron injection in a water chain.
Rizzi V, Todorov TN, Kohanoff JJ. Rizzi V, et al. Sci Rep. 2017 Mar 28;7:45410. doi: 10.1038/srep45410. Sci Rep. 2017. PMID: 28350013 Free PMC article.
OneOPES, a Combined Enhanced Sampling Method to Rule Them All.
Rizzi V, Aureli S, Ansari N, Gervasio FL. Rizzi V, et al. J Chem Theory Comput. 2023 Sep 12;19(17):5731-5742. doi: 10.1021/acs.jctc.3c00254. Epub 2023 Aug 21. J Chem Theory Comput. 2023. PMID: 37603295 Free PMC article.
111 results