Fulle S - Search Results

1

Substrate derived peptidic α-ketoamides as inhibitors of the malarial protease PfSUB1.

Kher SS, Penzo M, Fulle S, Finn PW, Blackman MJ, Jirgensons A. Kher SS, et al. Among authors: fulle s. Bioorg Med Chem Lett. 2014 Sep 15;24(18):4486-4489. doi: 10.1016/j.bmcl.2014.07.086. Epub 2014 Aug 7. Bioorg Med Chem Lett. 2014. PMID: 25129616

2

Plasmodium subtilisin-like protease 1 (SUB1): insights into the active-site structure, specificity and function of a pan-malaria drug target.

Withers-Martinez C, Suarez C, Fulle S, Kher S, Penzo M, Ebejer JP, Koussis K, Hackett F, Jirgensons A, Finn P, Blackman MJ. Withers-Martinez C, et al. Among authors: fulle s. Int J Parasitol. 2012 May 15;42(6):597-612. doi: 10.1016/j.ijpara.2012.04.005. Epub 2012 Apr 27. Int J Parasitol. 2012. PMID: 22543039 Free PMC article.

3

Molecular determinants of binding to the Plasmodium subtilisin-like protease 1.

Fulle S, Withers-Martinez C, Blackman MJ, Morris GM, Finn PW. Fulle S, et al. J Chem Inf Model. 2013 Mar 25;53(3):573-83. doi: 10.1021/ci300581z. Epub 2013 Mar 4. J Chem Inf Model. 2013. PMID: 23414065 Free PMC article.

4

The emerging role of cloud computing in molecular modelling.

Ebejer JP, Fulle S, Morris GM, Finn PW. Ebejer JP, et al. Among authors: fulle s. J Mol Graph Model. 2013 Jul;44:177-87. doi: 10.1016/j.jmgm.2013.06.002. Epub 2013 Jun 17. J Mol Graph Model. 2013. PMID: 23835611 Review.

5

Putative histidine kinase inhibitors with antibacterial effect against multi-drug resistant clinical isolates identified by in vitro and in silico screens.

Velikova N, Fulle S, Manso AS, Mechkarska M, Finn P, Conlon JM, Oggioni MR, Wells JM, Marina A. Velikova N, et al. Among authors: fulle s. Sci Rep. 2016 May 13;6:26085. doi: 10.1038/srep26085. Sci Rep. 2016. PMID: 27173778 Free PMC article.

6

Reranking docking poses using molecular simulations and approximate free energy methods.

Lauro G, Ferruz N, Fulle S, Harvey MJ, Finn PW, De Fabritiis G. Lauro G, et al. Among authors: fulle s. J Chem Inf Model. 2014 Aug 25;54(8):2185-9. doi: 10.1021/ci500309a. Epub 2014 Jul 31. J Chem Inf Model. 2014. PMID: 25046765

7

Profiling Prediction of Kinase Inhibitors: Toward the Virtual Assay.

Merget B, Turk S, Eid S, Rippmann F, Fulle S. Merget B, et al. Among authors: fulle s. J Med Chem. 2017 Jan 12;60(1):474-485. doi: 10.1021/acs.jmedchem.6b01611. Epub 2016 Dec 14. J Med Chem. 2017. PMID: 27966949

8

Development of Cagrilintide, a Long-Acting Amylin Analogue.

Kruse T, Hansen JL, Dahl K, Schäffer L, Sensfuss U, Poulsen C, Schlein M, Hansen AMK, Jeppesen CB, Dornonville de la Cour C, Clausen TR, Johansson E, Fulle S, Skyggebjerg RB, Raun K. Kruse T, et al. Among authors: fulle s. J Med Chem. 2021 Aug 12;64(15):11183-11194. doi: 10.1021/acs.jmedchem.1c00565. Epub 2021 Jul 21. J Med Chem. 2021. PMID: 34288673 Free article.

9

From Cancer to Pain Target by Automated Selectivity Inversion of a Clinical Candidate.

Turk S, Merget B, Eid S, Fulle S. Turk S, et al. Among authors: fulle s. J Med Chem. 2018 Jun 14;61(11):4851-4859. doi: 10.1021/acs.jmedchem.8b00140. Epub 2018 May 24. J Med Chem. 2018. PMID: 29746776 Review.

10

Modeling conformational flexibility of kinases in inactive states.

Schwarz D, Merget B, Deane C, Fulle S. Schwarz D, et al. Among authors: fulle s. Proteins. 2019 Nov;87(11):943-951. doi: 10.1002/prot.25756. Epub 2019 Jun 17. Proteins. 2019. PMID: 31168936 Free PMC article.

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