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Protein crystallography and fragment-based drug design.
Caliandro R, Belviso DB, Aresta BM, de Candia M, Altomare CD. Caliandro R, et al. Future Med Chem. 2013 Jun;5(10):1121-40. doi: 10.4155/fmc.13.84. Future Med Chem. 2013. PMID: 23795969 Review.
hERG stereoselective modulation by mexiletine-derived ureas: Molecular docking study, synthesis, and biological evaluation.
Milani G, Budriesi R, Tavazzani E, Cavalluzzi MM, Mattioli LB, Miniero DV, Delre P, Belviso BD, Denegri M, Cuocci C, Rotondo NP, De Palma A, Gualdani R, Caliandro R, Mangiatordi GF, Kumawat A, Camilloni C, Priori S, Lentini G. Milani G, et al. Among authors: caliandro r. Arch Pharm (Weinheim). 2023 Oct;356(10):e2300116. doi: 10.1002/ardp.202300116. Epub 2023 Jul 17. Arch Pharm (Weinheim). 2023. PMID: 37460390 Free article.
Ab initio phasing at resolution higher than experimental resolution.
Caliandro R, Carrozzini B, Cascarano GL, De Caro L, Giacovazzo C, Siliqi D. Caliandro R, et al. Acta Crystallogr D Biol Crystallogr. 2005 Aug;61(Pt 8):1080-7. doi: 10.1107/S0907444905015519. Epub 2005 Jul 20. Acta Crystallogr D Biol Crystallogr. 2005. PMID: 16041073
How a β-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties.
Belviso BD, Caliandro R, de Candia M, Zaetta G, Lopopolo G, Incampo F, Colucci M, Altomare CD. Belviso BD, et al. Among authors: caliandro r. J Med Chem. 2014 Oct 23;57(20):8563-75. doi: 10.1021/jm5010754. Epub 2014 Oct 14. J Med Chem. 2014. PMID: 25268757
Chiral Separation, X-ray Structure, and Biological Evaluation of a Potent and Reversible Dual Binding Site AChE Inhibitor.
Catto M, Pisani L, de la Mora E, Belviso BD, Mangiatordi GF, Pinto A, Palma A, Denora N, Caliandro R, Colletier JP, Silman I, Nicolotti O, Altomare CD. Catto M, et al. Among authors: caliandro r. ACS Med Chem Lett. 2020 Feb 7;11(5):869-876. doi: 10.1021/acsmedchemlett.9b00656. eCollection 2020 May 14. ACS Med Chem Lett. 2020. PMID: 32435398 Free PMC article.
Advances in the EDM-DEDM procedure.
Caliandro R, Carrozzini B, Cascarano GL, Giacovazzo C, Mazzone AM, Siliqi D. Caliandro R, et al. Acta Crystallogr D Biol Crystallogr. 2009 Mar;65(Pt 3):249-56. doi: 10.1107/S0907444908043734. Epub 2009 Feb 20. Acta Crystallogr D Biol Crystallogr. 2009. PMID: 19237747
Automatic α-helix identification in Patterson maps.
Caliandro R, Dibenedetto D, Cascarano GL, Mazzone A, Nico G. Caliandro R, et al. Acta Crystallogr D Biol Crystallogr. 2012 Jan;68(Pt 1):1-12. doi: 10.1107/S0907444911046282. Epub 2011 Dec 9. Acta Crystallogr D Biol Crystallogr. 2012. PMID: 22194328
120 results