Pavel Pospisil

Publications

16. Pospisil et al, Pharmacophore modeling revealing sigma receptor selectivities. in preparation 2007.

15. Pospisil et al, New model of serotonin receptor with radiolabeled ligand. in preparation for
J Med Chem 2007.

14. Pospisil et al, Are cancer microarrays matching the published scientific knowledge? in preparation for
Cancer Informatics 2007.

13. Pospisil P, Korideck H, Wang K, Iyer LK, Adelstein SJ, Kassis AI. Sulfatase 1-mediated precipitation of
radiolabeled prodrugs for targeting pancreatic cancer cells. submitted to Cancer Cell 2007.

13 Pospisil P. Scope and limits of molecular docking. In: Holtje HD, Sippl W, Rognan D, Folkers G, eds. Molecular modeling: basic principles and applications, third ed. Weinheim, Cambridge: Wiley-VCH, 2008 in press (Book chapter).

12. new, March 2007: Pospisil P, Wang K, Al Aowad AF, Iyer LK, Adelstein SJ, Kassis AI. Computational
modeling and experimental evaluation of a novel prodrug for targeting the extracellular space of prostate tumor.
Cancer Res, 2007, 67:5. Journal cover article.

11. Pospisil P, Iyer LK, Adelstein SJ, Kassis AI. A combined approach to data mining of textual and structured data to identify cancer-related targets. BMC Bioinformatics, 2006;7:354. Research-highlighted article.

10. Yarim M, Folkers G, Pospisil P. Keywords in chirality modeling, molecular modeling of chirality. In Francotte E, Lindner W, eds. Chirality in Drug Research. Weinheim, Cambridge: Wiley-VCH. 2006. ISBN-10: 3-527-31076-2. (Book chapter).

9. de Graaf C*, Pospisil P*, Pos W, Folkers G, Vermeulen NPE. Binding mode prediction of cytochrome P450 and thymidine kinase protein–ligand complexes by consideration of water and rescoring in automated docking. J Med Chem 2005;48:2308-18. *equal contribution to the work

8. Spiwok V, Jakusch M, Pospisil P, Folkers P, Pliska V. Molecular modelling study of free-energy landscape of oxytocin. In: Flegel M, Fridkin M, Gilon C, Slaninova J, eds. Peptides 2004, Bridges Between Disciplines, Geneva: Kenes International, 2005:766-67. (Book chapter).

7. Pospisil P. Scope and limits of molecular docking. In: Holtje HD, Sippl W, Rognan D, Folkers G, eds. Molecular modeling: basic principles and applications, second ed. Weinheim, Cambridge: Wiley-VCH, 2003:169-77. (Book chapter).

6. Pospisil P, Ballmer P, Scapozza L, Folkers G. Tautomerism in computer-aided drug design. J Recept Signal Transduct 2003;23:361-71.

5. Pospisil P, Kuoni T, Scapozza L, Folkers G. Methodology and problems of protein-ligand docking: case study of dihydroorotate dehydrogenase, thymidine kinase, and phosphodiesterase 4. J Recept Signal Transduct 2002;22:141-54.

4. Pospisil P, Pilger BD, Marveggio S, Schelling P, Wurth C, Scapozza L, Folkers G. Synthesis, kinetics, and molecular docking of novel 9-(2-hydroxypropyl)purine nucleoside analogs as ligands of herpesviral thymidine kinases. Helv Chim Acta 2002;85:3237-50.

3. Pospisil P, Scapozza L, Folkers G. The role of water in drug design: thymidine kinase as case study. In: Rational approaches to drug design, Proceedings of the 13^th European Symposium on QSAR. Barcelona: Prous Science, 2001:92-6. (Book chapter).

2. Scapozza L, Ballmer P, Johner R, Perozzo R, Pilger B, Pospisil P, Prota A, Schelling P, Spadola L, Wurth C, Folkers G. Extended substrate acceptance of Herpes simplex virus type 1 thymidine kinase: a new chance for gene and antiviral therapy. Chimia 2000;54:663‑8.

1. Kotrba P, Pospisil P, de Lorenzo V, Ruml T. Enhanced metallosorption of Escherichia coli cells due to surface display of b- and a-domains of mammalian metallothionein as a fusion to LamB protein. J Recept Signal Transduct Res 1999;19:703-15.