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Computational Structural Biology

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  • 2024

    Bačić Toplek F., Scalone E., Stegani B., Paissoni C., Capelli R., and Camilloni C. (2024) Multi-eGO: model improvements towards the study of complex self-assembly processes. J. CHEM. THEORY COMPUT. 20: 459-468 [chemRxiv]

    Capelli R. and Piccini GM. (2024) Atomistic Insights into Hydrogen-Bonded Supramolecular Capsule Self-Assembly Dynamics. J. PHYS. CHEM. C 128, 1, 635-641 [chemRxiv] plumID:23.040

    Menke A. J., Jacobus Z. P., Claton L. E., Annunziata O., Capelli R., Pavan G. M., and Simanek E. E. (2024) Proton Affinity and Conformational Integrity of a 24-Atom Triazine Macrocycle across Physiologically Relevant pH. J. ORG. CHEM. 89, 4, 2467-2473

    Pirona L., Ballabio F., Alfonso-Prieto M., and Capelli R. (2024) Calcium-driven In Silico Inactivation of a Human Olfactory Receptor. J. CHEM. INF. MODEL. 64, 2971-2978 [biorXiv]

    Olivieri C., Wang Y., Walker C., Subrahmanian M.V., Ha K.N., Bernlohr D.A., Gao J., Camilloni C., Vendruscolo M., Taylor S.S., and Veglia G. (2024) The αC-β4 loop controls the allosteric cooperativity between nucleotide and substrate in the catalytic subunit of protein kinase A. ELIFE 12: 91506 [bioRxiv]

    Citarella A., Cavinato M., Rosini E., Shehi H., Ballabio F., Camilloni C., Fasano V., Silvani A., Passarella D., Pollegioni L., and Nardini M. (2024) Nicotinic Acid Derivatives As Novel Noncompetitive α-Amylase and α-Glucosidase Inhibitors for Type 2 Diabetes Treatment. ACS MED. CHEM. LETT. 15: 1474-1481

    Costa S., Minucci A., Kumawat A., De Bonis M., Prontera G., Gelsomino M., Tana M., Tiberi E., Romano A., Ruggiero A., Mastrangelo S., Palumbo G., Giorgio V., Onori M.E., Bolognesi M., Camilloni C., Luzzato L., and Vento G. (2024) Pathogenic G6PD variants: Different clinical pictures arise from different missense mutations in the same codon. BR. J. HAEMATOL. 205: 1985-1994.

    Persello A., Tadini L., Rotasperti L., Ballabio F., Tagliani A., Torricella V., Jahns P., Dalal A., Moshelion M., Camilloni C., Rosignoli S., Hansson M., Cattivelli L., Horner D.S., Rossini L., Tondelli A., Salvi S., and Pesaresi P. (2024) A missense mutation in the barley Xan-h gene encoding the Mg-chelatase subunit I leads to a viable pale green line with reduced daily transpiration rate. PLANT CELL REP. 43: 246 [bioRxiv]

    Pennacchietti V., di Matteo S., Pagano L., Bačić Toplek F., Stegani B., Toto A., Toso J., Puglisi E., Capelli R., Felice M. D., Malagrinò F., Camilloni C., and Gianni, S. (2024) A PDZ tandem repeat folds and unfolds via different pathways. PROTEIN SCI. 33: e5203.

    Chaves-Sanjuan A., D’Abrosca G., Russo V., van Erp B., Del Cont-Bernard A., Capelli R., Pirone L., Slapakova M., Sgambati D., Fattorusso R., Isernia C., Russo L., Barton I., Roop II R. M., Pedone E. M. , Bolognesi M. , Dame R. T. , Pedone P. V., Nardini M., Malgieri G., and Baglivo I. (2024) Circular oligomeric particles formed by Ros/MucR family members mediate DNA organization in α-proteobacteria. NUCLEIC ACIDS RES., gkae1104.

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