Bartocci A - Search Results

1

A millisecond coarse-grained simulation approach to decipher allosteric cannabinoid binding at the glycine receptor α1.

Bartocci A, Grazzi A, Awad N, Corringer PJ, Souza PCT, Cecchini M. Bartocci A, et al. Nat Commun. 2024 Oct 19;15(1):9040. doi: 10.1038/s41467-024-53098-4. Nat Commun. 2024. PMID: 39426952 Free PMC article.

2

Capturing the Recognition Dynamics of para-Sulfonato-calix[4]arenes by Cytochrome c: Toward a Quantitative Free Energy Assessment.

Bartocci A, Pereira G, Cecchini M, Dumont E. Bartocci A, et al. J Chem Inf Model. 2022 Dec 26;62(24):6739-6748. doi: 10.1021/acs.jcim.2c00483. Epub 2022 Sep 2. J Chem Inf Model. 2022. PMID: 36054284

3

Towards design of drugs and delivery systems with the Martini coarse-grained model.

Kjølbye LR, Pereira GP, Bartocci A, Pannuzzo M, Albani S, Marchetto A, Jiménez-García B, Martin J, Rossetti G, Cecchini M, Wu S, Monticelli L, Souza PCT. Kjølbye LR, et al. Among authors: bartocci a. QRB Discov. 2022 Oct 12;3:e19. doi: 10.1017/qrd.2022.16. eCollection 2022. QRB Discov. 2022. PMID: 37529288 Free PMC article. Review.

4

Situating the phosphonated calixarene-cytochrome C association by molecular dynamics simulations.

Bartocci A, Dumont E. Bartocci A, et al. J Chem Phys. 2024 Mar 14;160(10):105101. doi: 10.1063/5.0198522. J Chem Phys. 2024. PMID: 38465686

5

Molecular Dynamics Approach for Capturing Calixarene-Protein Interactions: The Case of Cytochrome C.

Bartocci A, Gillet N, Jiang T, Szczepaniak F, Dumont E. Bartocci A, et al. J Phys Chem B. 2020 Dec 17;124(50):11371-11378. doi: 10.1021/acs.jpcb.0c08482. Epub 2020 Dec 3. J Phys Chem B. 2020. PMID: 33270456

6

One touch is all it takes: the supramolecular interaction between ubiquitin and lanthanide complexes revisited by paramagnetic NMR and molecular dynamics.

Dos Santos K, Bartocci A, Gillet N, Denis-Quanquin S, Roux A, Lin E, Xu Z, Finizola R, Chedozeau P, Chen X, Caradeuc C, Baudin M, Bertho G, Riobé F, Maury O, Dumont E, Giraud N. Dos Santos K, et al. Among authors: bartocci a. Phys Chem Chem Phys. 2024 May 22;26(20):14573-14581. doi: 10.1039/d4cp00463a. Phys Chem Chem Phys. 2024. PMID: 38722087

7

Assessing the sequence dependence of pyrimidine-pyrimidone (6-4) photoproduct in a duplex double-stranded DNA: A pitfall for microsecond range simulation.

Gillet N, Bartocci A, Dumont E. Gillet N, et al. Among authors: bartocci a. J Chem Phys. 2021 Apr 7;154(13):135103. doi: 10.1063/5.0041332. J Chem Phys. 2021. PMID: 33832258

8

Probing the dynamical interaction of the para-sulfonato-calix[4]arene with an antifungal protein.

Bartocci A, Dumont E. Bartocci A, et al. Phys Chem Chem Phys. 2023 Jul 12;25(27):18067-18074. doi: 10.1039/d3cp01202f. Phys Chem Chem Phys. 2023. PMID: 37381771

9

Capturing the dynamic association between a tris-dipicolinate lanthanide complex and a decapeptide: a combined paramagnetic NMR and molecular dynamics exploration.

Denis-Quanquin S, Bartocci A, Szczepaniak F, Riobé F, Maury O, Dumont E, Giraud N. Denis-Quanquin S, et al. Among authors: bartocci a. Phys Chem Chem Phys. 2021 May 19;23(19):11224-11232. doi: 10.1039/d0cp06570f. Phys Chem Chem Phys. 2021. PMID: 34010374

10

Influence of Divalent Cations in the Protein Crystallization Process Assisted by Lanthanide-Based Additives.

Roux A, Talon R, Alsalman Z, Engilberge S, D'Aléo A, Di Pietro S, Robin A, Bartocci A, Pilet G, Dumont E, Wagner T, Shima S, Riobé F, Girard E, Maury O. Roux A, et al. Among authors: bartocci a. Inorg Chem. 2021 Oct 18;60(20):15208-15214. doi: 10.1021/acs.inorgchem.1c01635. Epub 2021 Oct 1. Inorg Chem. 2021. PMID: 34597021

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