Pisabarro MT - Search Results

1

Mechanism of inhibition of human secretory phospholipase A2 by flavonoids: rationale for lead design.

Lättig J, Böhl M, Fischer P, Tischer S, Tietböhl C, Menschikowski M, Gutzeit HO, Metz P, Pisabarro MT. Lättig J, et al. Among authors: pisabarro mt. J Comput Aided Mol Des. 2007 Aug;21(8):473-83. doi: 10.1007/s10822-007-9129-8. Epub 2007 Aug 15. J Comput Aided Mol Des. 2007. PMID: 17701137

2

Docking glycosaminoglycans to proteins: analysis of solvent inclusion.

Samsonov SA, Teyra J, Pisabarro MT. Samsonov SA, et al. Among authors: pisabarro mt. J Comput Aided Mol Des. 2011 May;25(5):477-89. doi: 10.1007/s10822-011-9433-1. Epub 2011 May 20. J Comput Aided Mol Des. 2011. PMID: 21597992 Free PMC article.

3

Insights into the preferential order of strand exchange in the Cre/loxP recombinase system: impact of the DNA spacer flanking sequence and flexibility.

Abi-Ghanem J, Samsonov SA, Pisabarro MT. Abi-Ghanem J, et al. Among authors: pisabarro mt. J Comput Aided Mol Des. 2015 Mar;29(3):271-82. doi: 10.1007/s10822-014-9825-0. Epub 2015 Jan 3. J Comput Aided Mol Des. 2015. PMID: 25555999

4

Rational Structure-Based Rescaffolding Approach to De Novo Design of Interleukin 10 (IL-10) Receptor-1 Mimetics.

Ruiz-Gómez G, Hawkins JC, Philipp J, Künze G, Wodtke R, Löser R, Fahmy K, Pisabarro MT. Ruiz-Gómez G, et al. Among authors: pisabarro mt. PLoS One. 2016 Apr 28;11(4):e0154046. doi: 10.1371/journal.pone.0154046. eCollection 2016. PLoS One. 2016. PMID: 27123592 Free PMC article.

5

Rational modification of human synovial fluid phospholipase A2 inhibitors.

Pisabarro MT, Ortiz AR, Palomer A, Cabré F, García L, Wade RC, Gago F, Mauleón D, Carganico G. Pisabarro MT, et al. J Med Chem. 1994 Feb 4;37(3):337-41. doi: 10.1021/jm00029a004. J Med Chem. 1994. PMID: 8308860 No abstract available.

6

Fluorine in protein environments: a QM and MD study.

Samsonov SA, Salwiczek M, Anders G, Koksch B, Pisabarro MT. Samsonov SA, et al. Among authors: pisabarro mt. J Phys Chem B. 2009 Dec 24;113(51):16400-8. doi: 10.1021/jp906402b. J Phys Chem B. 2009. PMID: 19947631

7

MSPocket: an orientation-independent algorithm for the detection of ligand binding pockets.

Zhu H, Pisabarro MT. Zhu H, et al. Among authors: pisabarro mt. Bioinformatics. 2011 Feb 1;27(3):351-8. doi: 10.1093/bioinformatics/btq672. Epub 2010 Dec 6. Bioinformatics. 2011. PMID: 21134896

8

Multipose binding in molecular docking.

Atkovska K, Samsonov SA, Paszkowski-Rogacz M, Pisabarro MT. Atkovska K, et al. Among authors: pisabarro mt. Int J Mol Sci. 2014 Feb 14;15(2):2622-45. doi: 10.3390/ijms15022622. Int J Mol Sci. 2014. PMID: 24534807 Free PMC article.

9

Identification and characterization of a glycosaminoglycan binding site on interleukin-10 via molecular simulation methods.

Gehrcke JP, Pisabarro MT. Gehrcke JP, et al. Among authors: pisabarro mt. J Mol Graph Model. 2015 Nov;62:97-104. doi: 10.1016/j.jmgm.2015.09.003. Epub 2015 Sep 8. J Mol Graph Model. 2015. PMID: 26409190 Free article.

10

Exploring Multiple Binding Modes Using Confined Replica Exchange Molecular Dynamics.

Anselmi M, Pisabarro MT. Anselmi M, et al. Among authors: pisabarro mt. J Chem Theory Comput. 2015 Aug 11;11(8):3906-18. doi: 10.1021/acs.jctc.5b00253. J Chem Theory Comput. 2015. PMID: 26574471

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