Sgobba M - Search Results

1

Validation of an automated procedure for the prediction of relative free energies of binding on a set of aldose reductase inhibitors.

Ferrari AM, Degliesposti G, Sgobba M, Rastelli G. Ferrari AM, et al. Among authors: sgobba m. Bioorg Med Chem. 2007 Dec 15;15(24):7865-77. doi: 10.1016/j.bmc.2007.08.019. Epub 2007 Aug 22. Bioorg Med Chem. 2007. PMID: 17870536

2

Relationship between quantum-chemical descriptors of proton dissociation and experimental acidity constants of various hydroxylated coumarins. Identification of the biologically active species for xanthine oxidase inhibition.

Ferrari AM, Sgobba M, Gamberini MC, Rastelli G. Ferrari AM, et al. Among authors: sgobba m. Eur J Med Chem. 2007 Jul;42(7):1028-31. doi: 10.1016/j.ejmech.2006.12.023. Epub 2007 Jan 13. Eur J Med Chem. 2007. PMID: 17316915

3

Structural models and binding site prediction of the C-terminal domain of human Hsp90: a new target for anticancer drugs.

Sgobba M, Degliesposti G, Ferrari AM, Rastelli G. Sgobba M, et al. Chem Biol Drug Des. 2008 May;71(5):420-433. doi: 10.1111/j.1747-0285.2008.00650.x. Epub 2008 Mar 25. Chem Biol Drug Des. 2008. PMID: 18373550

4

Binding estimation after refinement, a new automated procedure for the refinement and rescoring of docked ligands in virtual screening.

Rastelli G, Degliesposti G, Del Rio A, Sgobba M. Rastelli G, et al. Among authors: sgobba m. Chem Biol Drug Des. 2009 Mar;73(3):283-6. doi: 10.1111/j.1747-0285.2009.00780.x. Chem Biol Drug Des. 2009. PMID: 19207463

5

Fast and accurate predictions of binding free energies using MM-PBSA and MM-GBSA.

Rastelli G, Del Rio A, Degliesposti G, Sgobba M. Rastelli G, et al. Among authors: sgobba m. J Comput Chem. 2010 Mar;31(4):797-810. doi: 10.1002/jcc.21372. J Comput Chem. 2010. PMID: 19569205

6

A computational workflow for the design of irreversible inhibitors of protein kinases.

Del Rio A, Sgobba M, Parenti MD, Degliesposti G, Forestiero R, Percivalle C, Conte PF, Freccero M, Rastelli G. Del Rio A, et al. Among authors: sgobba m. J Comput Aided Mol Des. 2010 Mar;24(3):183-94. doi: 10.1007/s10822-010-9324-x. Epub 2010 Mar 21. J Comput Aided Mol Des. 2010. PMID: 20306284

7

Application of a post-docking procedure based on MM-PBSA and MM-GBSA on single and multiple protein conformations.

Sgobba M, Caporuscio F, Anighoro A, Portioli C, Rastelli G. Sgobba M, et al. Eur J Med Chem. 2012 Dec;58:431-40. doi: 10.1016/j.ejmech.2012.10.024. Epub 2012 Oct 25. Eur J Med Chem. 2012. PMID: 23153814

8

In vitro effects of Plasmodium falciparum dihydrofolate reductase inhibitors on normal and cancer cell proliferation.

Rossi T, Coppi A, Bruni E, Sgobba M, Degliesposti G, Rastelli G. Rossi T, et al. Among authors: sgobba m. ChemMedChem. 2008 Mar;3(3):421-4. doi: 10.1002/cmdc.200700257. ChemMedChem. 2008. PMID: 17973282 No abstract available.

9

Structure-based and in silico design of Hsp90 inhibitors.

Sgobba M, Rastelli G. Sgobba M, et al. ChemMedChem. 2009 Sep;4(9):1399-409. doi: 10.1002/cmdc.200900256. ChemMedChem. 2009. PMID: 19685544 Review.

10

Exploring the binding site of C-terminal hsp90 inhibitors.

Sgobba M, Forestiero R, Degliesposti G, Rastelli G. Sgobba M, et al. J Chem Inf Model. 2010 Sep 27;50(9):1522-8. doi: 10.1021/ci1001857. J Chem Inf Model. 2010. PMID: 20828111

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