Bartocci, Alessio
Bartocci, Alessio
A computational study to assess the pathogenicity of single or combinations of missense variants on respiratory complex I
2024-01-01 Rigobello, L.; Lugli, F.; Caporali, L.; Bartocci, A.; Fadanni, J.; Zerbetto, F.; Iommarini, L.; Carelli, V.; Ghelli, A. M.; Musiani, F.
A Martini coarse-grained model of the calcein fluorescent dye
2018-01-01 Salassi, Sebastian; Simonelli, Federica; Bartocci, Alessio; Rossi, Giulia
A millisecond coarse-grained simulation approach to decipher allosteric cannabinoid binding at the glycine receptor α1
2024-01-01 Bartocci, A.; Grazzi, A.; Awad, N.; Corringer, P. -J.; Souza, P. C. T.; Cecchini, M.
An ab initio electronic density study of the CH 4-Ar, CH 4-Xe, CH 4-H 2O and CH 4-H 2S complexes: Insights into the nature of the intermolecular interaction
2015-01-01 Bartocci, A.; Frati, F.; Roncaratti, L. F.; Cappelletti, D.; Tarantelli, F.; Belpassi, L.; Pirani, F.
Assessing the sequence dependence of pyrimidine-pyrimidone (6-4) photoproduct in a duplex double-stranded DNA: A pitfall for microsecond range simulation
2021-01-01 Gillet, N.; Bartocci, A.; Dumont, E.
Calixarenes meet (TG4T)4 G-quadruplex: Exploring reciprocal interactions to develop innovative biotechnological applications
2025-01-01 Falanga, A. P.; Cremonini, M.; Bartocci, A.; Nolli, M. G.; Terracciano, M.; Volpi, S.; Dumont, E.; Piccialli, G.; Casnati, A.; Sansone, F.; Borbone, N.; Oliviero, G.
Capturing the dynamic association between a tris-dipicolinate lanthanide complex and a decapeptide: a combined paramagnetic NMR and molecular dynamics exploration
2021-01-01 Denis-Quanquin, S.; Bartocci, A.; Szczepaniak, F.; Riobe, F.; Maury, O.; Dumont, E.; Giraud, N.
Capturing the Recognition Dynamics of para-Sulfonato-calix[4]arenes by Cytochrome c: Toward a Quantitative Free Energy Assessment
2022-01-01 Bartocci, A.; Pereira, G.; Cecchini, M.; Dumont, E.
Catching the role of anisotropic electronic distribution and charge transfer in halogen bonded complexes of noble gases
2015-01-01 Bartocci, A.; Belpassi, L.; Cappelletti, D.; Falcinelli, S.; Grandinetti, F.; Tarantelli, F.; Pirani, F.
Collisional autoionization dynamics of Ne( 3P 2,0)- H 2O
2012-01-01 Balucani, N.; Bartocci, A.; Brunetti, B.; Candori, P.; Falcinelli, S.; Palazzetti, F.; Pirani, F.; Vecchiocattivi, F.
Experimental Evidence of Chemical Components in the Bonding of Helium and Neon with Neutral Molecules
2015-01-01 Cappelletti, D.; Bartocci, A.; Grandinetti, F.; Falcinelli, S.; Belpassi, L.; Tarantelli, F.; Pirani, F.
H2O-CH4 and H2S-CH4 complexes: A direct comparison through molecular beam experiments and ab initio calculations
2015-01-01 Cappelletti, D.; Bartocci, A.; Frati, F.; Roncaratti, L. F.; Belpassi, L.; Tarantelli, F.; Lakshmi, P. A.; Arunan, E.; Pirani, F.
Influence of Divalent Cations in the Protein Crystallization Process Assisted by Lanthanide-Based Additives
2021-01-01 Roux, A.; Talon, R.; Alsalman, Z.; Engilberge, S.; D'Aleo, A.; Di Pietro, S.; Robin, A.; Bartocci, A.; Pilet, G.; Dumont, E.; Wagner, T.; Shima, S.; Riobe, F.; Girard, E.; Maury, O.
Integrative Computational Analysis of Common EXO5 Haplotypes: Impact on Protein Dynamics, Genome Stability, and Cancer Progression
2025-01-01 Mazza, Fabio; Dalfovo, Davide; Bartocci, Alessio; Lattanzi, Gianluca; Romanel, Alessandro
Interaction of O2 with CH4, CF4, and CCl4 by Molecular Beam Scattering Experiments and Theoretical Calculations
2016-01-01 Cappelletti, D.; Aquilanti, V.; Bartocci, A.; Nunzi, F.; Tarantelli, F.; Belpassi, L.; Pirani, F.
Intermolecular interaction in the H2S-H2 complex: Molecular beam scattering experiments and ab-inito calculations
2014-01-01 Bartocci, A.; Cappelletti, D.; Pirani, F.; Tarantelli, F.; Belpassi, L.
Intermolecular potential energy surfaces for the interaction between H2X (XO, S) and a metastable Ne∗(3P2,0) atom
2014-01-01 Falcinelli, S.; Bartocci, A.; Candori, P.; Pirani, F.; Vecchiocattivi, F.
Modeling the intermolecular interactions and characterization of the dynamics of collisional autoionization processes
2013-01-01 Falcinelli, S.; Rosi, M.; Candori, P.; Vecchiocattivi, F.; Bartocci, A.; Lombardi, A.; Lago, N. F.; Pirani, F.
Molecular dynamics approach for capturing calixarene−protein interactions: The case of cytochrome c
2020-01-01 Bartocci, A.; Gillet, N.; Jiang, T.; Szczepaniak, F.; Dumont, E.
One touch is all it takes: the supramolecular interaction between ubiquitin and lanthanide complexes revisited by paramagnetic NMR and molecular dynamics
2024-01-01 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.; Riobe, F.; Maury, O.; Dumont, E.; Giraud, N.