Colombo G - Search Results

1

Integrating Protein Interaction Surface Prediction with a Fragment-Based Drug Design: Automatic Design of New Leads with Fragments on Energy Surfaces.

Torielli L, Serapian SA, Mussolin L, Moroni E, Colombo G. Torielli L, et al. Among authors: colombo g. J Chem Inf Model. 2023 Jan 9;63(1):343-353. doi: 10.1021/acs.jcim.2c01408. Epub 2022 Dec 27. J Chem Inf Model. 2023. PMID: 36574607 Free PMC article.

2

A molecular dynamics study of the interaction of D-peptide amyloid inhibitors with their target sequence reveals a potential inhibitory pharmacophore conformation.

Esteras-Chopo A, Morra G, Moroni E, Serrano L, Lopez de la Paz M, Colombo G. Esteras-Chopo A, et al. Among authors: colombo g. J Mol Biol. 2008 Oct 31;383(1):266-80. doi: 10.1016/j.jmb.2008.07.076. Epub 2008 Jul 31. J Mol Biol. 2008. PMID: 18703072

3

Structure and sequence determinants of aggregation investigated with molecular dynamics.

Moroni E, Scarabelli G, Colombo G. Moroni E, et al. Among authors: colombo g. Front Biosci (Landmark Ed). 2009 Jan 1;14(2):523-39. doi: 10.2741/3260. Front Biosci (Landmark Ed). 2009. PMID: 19273083 Free article. Review.

4

Investigating dynamic and energetic determinants of protein nucleic acid recognition: analysis of the zinc finger zif268-DNA complexes.

Torella R, Moroni E, Caselle M, Morra G, Colombo G. Torella R, et al. Among authors: colombo g. BMC Struct Biol. 2010 Nov 24;10:42. doi: 10.1186/1472-6807-10-42. BMC Struct Biol. 2010. PMID: 21106075 Free PMC article.

5

3D-QSAR Assisted Design, Synthesis and Evaluation of Novobiocin Analogues.

Zhao H, Moroni E, Yan B, Colombo G, Blagg BS. Zhao H, et al. Among authors: colombo g. ACS Med Chem Lett. 2012 Jan 1;4(1):57-62. doi: 10.1021/ml300275g. ACS Med Chem Lett. 2012. PMID: 23606927 Free PMC article.

6

Energetic and dynamic aspects of the affinity maturation process: characterizing improved variants from the bevacizumab antibody with molecular simulations.

Corrada D, Colombo G. Corrada D, et al. Among authors: colombo g. J Chem Inf Model. 2013 Nov 25;53(11):2937-50. doi: 10.1021/ci400416e. Epub 2013 Nov 12. J Chem Inf Model. 2013. PMID: 24168661

7

Molecular dynamics simulations of hsp90 with an eye to inhibitor design.

Moroni E, Morra G, Colombo G. Moroni E, et al. Among authors: colombo g. Pharmaceuticals (Basel). 2012 Sep 10;5(9):944-62. doi: 10.3390/ph5090944. Pharmaceuticals (Basel). 2012. PMID: 24280699 Free PMC article.

8

Exploiting conformational dynamics in drug discovery: design of C-terminal inhibitors of Hsp90 with improved activities.

Moroni E, Zhao H, Blagg BS, Colombo G. Moroni E, et al. Among authors: colombo g. J Chem Inf Model. 2014 Jan 27;54(1):195-208. doi: 10.1021/ci4005767. Epub 2014 Jan 15. J Chem Inf Model. 2014. PMID: 24397468 Free PMC article.

9

Identification of a new scaffold for hsp90 C-terminal inhibition.

Zhao H, Moroni E, Colombo G, Blagg BS. Zhao H, et al. Among authors: colombo g. ACS Med Chem Lett. 2013 Nov 26;5(1):84-8. doi: 10.1021/ml400404s. eCollection 2014 Jan 9. ACS Med Chem Lett. 2013. PMID: 24900777 Free PMC article.

10

Computational approaches elucidate the allosteric mechanism of human aromatase inhibition: a novel possible route to Small-molecule regulation of CYP450s activities?

Sgrignani J, Bon M, Colombo G, Magistrato A. Sgrignani J, et al. Among authors: colombo g. J Chem Inf Model. 2014 Oct 27;54(10):2856-68. doi: 10.1021/ci500425y. Epub 2014 Sep 15. J Chem Inf Model. 2014. PMID: 25178092

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