Degliesposti G - 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: degliesposti g. 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

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: degliesposti g. ChemMedChem. 2008 Mar;3(3):421-4. doi: 10.1002/cmdc.200700257. ChemMedChem. 2008. PMID: 17973282 No abstract available.

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. Among authors: degliesposti g. 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: degliesposti g. 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

WISDOM-II: screening against multiple targets implicated in malaria using computational grid infrastructures.

Kasam V, Salzemann J, Botha M, Dacosta A, Degliesposti G, Isea R, Kim D, Maass A, Kenyon C, Rastelli G, Hofmann-Apitius M, Breton V. Kasam V, et al. Among authors: degliesposti g. Malar J. 2009 May 1;8:88. doi: 10.1186/1475-2875-8-88. Malar J. 2009. PMID: 19409081 Free PMC article.

6

Design and discovery of plasmepsin II inhibitors using an automated workflow on large-scale grids.

Degliesposti G, Kasam V, Da Costa A, Kang HK, Kim N, Kim DW, Breton V, Kim D, Rastelli G. Degliesposti G, et al. ChemMedChem. 2009 Jul;4(7):1164-73. doi: 10.1002/cmdc.200900111. ChemMedChem. 2009. PMID: 19437467

7

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: degliesposti g. J Comput Chem. 2010 Mar;31(4):797-810. doi: 10.1002/jcc.21372. J Comput Chem. 2010. PMID: 19569205

8

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: degliesposti g. 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

9

Exploring the binding site of C-terminal hsp90 inhibitors.

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

10

BEAR, a novel virtual screening methodology for drug discovery.

Degliesposti G, Portioli C, Parenti MD, Rastelli G. Degliesposti G, et al. J Biomol Screen. 2011 Jan;16(1):129-33. doi: 10.1177/1087057110388276. Epub 2010 Nov 17. J Biomol Screen. 2011. PMID: 21084717 Free article.

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