Carloni P - Search Results

1

Kinetic and structural details of urease inactivation by thiuram disulphides.

Mazzei L, Paul A, Cianci M, Devodier M, Mandelli D, Carloni P, Ciurli S. Mazzei L, et al. Among authors: carloni p. J Inorg Biochem. 2024 Jan;250:112398. doi: 10.1016/j.jinorgbio.2023.112398. Epub 2023 Oct 10. J Inorg Biochem. 2024. PMID: 37879152

2

Molecular determinants of acrylamide neurotoxicity through covalent docking.

Mueller NPF, Carloni P, Alfonso-Prieto M. Mueller NPF, et al. Among authors: carloni p. Front Pharmacol. 2023 Mar 2;14:1125871. doi: 10.3389/fphar.2023.1125871. eCollection 2023. Front Pharmacol. 2023. PMID: 36937867 Free PMC article.

3

Modelling eNvironment for Isoforms (MoNvIso): A general platform to predict structural determinants of protein isoforms in genetic diseases.

Oliva F, Musiani F, Giorgetti A, De Rubeis S, Sorokina O, Armstrong DJ, Carloni P, Ruggerone P. Oliva F, et al. Among authors: carloni p. Front Chem. 2023 Jan 9;10:1059593. doi: 10.3389/fchem.2022.1059593. eCollection 2022. Front Chem. 2023. PMID: 36700074 Free PMC article.

4

Impact of quantum and neuromorphic computing on biomolecular simulations: Current status and perspectives.

Diaz-Pier S, Carloni P. Diaz-Pier S, et al. Among authors: carloni p. Curr Opin Struct Biol. 2024 Aug;87:102817. doi: 10.1016/j.sbi.2024.102817. Epub 2024 May 24. Curr Opin Struct Biol. 2024. PMID: 38795562 Free article. Review.

5

Exascale simulations and beyond.

Carloni P, Sanbonmatsu K. Carloni P, et al. Curr Opin Struct Biol. 2024 Oct 4;89:102939. doi: 10.1016/j.sbi.2024.102939. Online ahead of print. Curr Opin Struct Biol. 2024. PMID: 39368259 No abstract available.

6

Correction to: Fluoride Transport and Inhibition Across CLC Transporters.

Asgharpour S, América Chi L, Spehr M, Carloni P, Alfonso-Prieto M. Asgharpour S, et al. Among authors: carloni p. Handb Exp Pharmacol. 2024;283:361-362. doi: 10.1007/164_2022_620. Handb Exp Pharmacol. 2024. PMID: 36484860 No abstract available.

7

MiMiC: A high-performance framework for multiscale molecular dynamics simulations.

Antalík A, Levy A, Kvedaravičiūtė S, Johnson SK, Carrasco-Busturia D, Raghavan B, Mouvet F, Acocella A, Das S, Gavini V, Mandelli D, Ippoliti E, Meloni S, Carloni P, Rothlisberger U, Olsen JMH. Antalík A, et al. Among authors: carloni p. J Chem Phys. 2024 Jul 14;161(2):022501. doi: 10.1063/5.0211053. J Chem Phys. 2024. PMID: 38990116

8

Unlocking the elemental signature of European tea gardens: Implications for tea traceability.

Girolametti F, Annibaldi A, Illuminati S, Damiani E, Carloni P, Ajdini B, Fanelli M, Truzzi C. Girolametti F, et al. Among authors: carloni p. Food Chem. 2024 Sep 30;453:139641. doi: 10.1016/j.foodchem.2024.139641. Epub 2024 May 17. Food Chem. 2024. PMID: 38761733 Free article.

9

Effective data-driven collective variables for free energy calculations from metadynamics of paths.

Müllender L, Rizzi A, Parrinello M, Carloni P, Mandelli D. Müllender L, et al. Among authors: carloni p. PNAS Nexus. 2024 Apr 12;3(4):pgae159. doi: 10.1093/pnasnexus/pgae159. eCollection 2024 Apr. PNAS Nexus. 2024. PMID: 38665160 Free PMC article.

10

All-Atom Biomolecular Simulation in the Exascale Era.

Beck TL, Carloni P, Asthagiri DN. Beck TL, et al. Among authors: carloni p. J Chem Theory Comput. 2024 Mar 12;20(5):1777-1782. doi: 10.1021/acs.jctc.3c01276. Epub 2024 Feb 21. J Chem Theory Comput. 2024. PMID: 38382017 Review.

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