Piomponi V - Search Results

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Molecular Simulations to Investigate the Impact of N6-Methylation in RNA Recognition: Improving Accuracy and Precision of Binding Free Energy Prediction.

Piomponi V, Krepl M, Sponer J, Bussi G. Piomponi V, et al. J Phys Chem B. 2024 Sep 19;128(37):8896-8907. doi: 10.1021/acs.jpcb.4c03397. Epub 2024 Sep 6. J Phys Chem B. 2024. PMID: 39240243

Alchemical Metadynamics: Adding Alchemical Variables to Metadynamics to Enhance Sampling in Free Energy Calculations.

Hsu WT, Piomponi V, Merz PT, Bussi G, Shirts MR. Hsu WT, et al. Among authors: piomponi v. J Chem Theory Comput. 2023 Mar 28;19(6):1805-1817. doi: 10.1021/acs.jctc.2c01258. Epub 2023 Feb 28. J Chem Theory Comput. 2023. PMID: 36853624

Molecular Simulations Matching Denaturation Experiments for N⁶-Methyladenosine.

Piomponi V, Fröhlking T, Bernetti M, Bussi G. Piomponi V, et al. ACS Cent Sci. 2022 Aug 24;8(8):1218-1228. doi: 10.1021/acscentsci.2c00565. Epub 2022 Aug 3. ACS Cent Sci. 2022. PMID: 36032773 Free PMC article.

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