Caflisch A - Search Results

1

Iriomoteolides: novel chemical tools to study actin dynamics.

Unzue A, Cribiú R, Hoffman MM, Knehans T, Lafleur K, Caflisch A, Nevado C. Unzue A, et al. Among authors: caflisch a. Chem Sci. 2018 Apr 3;9(15):3793-3802. doi: 10.1039/c7sc04286h. eCollection 2018 Apr 21. Chem Sci. 2018. PMID: 29780512 Free PMC article.

2

Structure-based optimization of potent and selective inhibitors of the tyrosine kinase erythropoietin producing human hepatocellular carcinoma receptor B4 (EphB4).

Lafleur K, Huang D, Zhou T, Caflisch A, Nevado C. Lafleur K, et al. Among authors: caflisch a. J Med Chem. 2009 Oct 22;52(20):6433-46. doi: 10.1021/jm9009444. J Med Chem. 2009. PMID: 19788238

3

Kinase selectivity potential for inhibitors targeting the ATP binding site: a network analysis.

Huang D, Zhou T, Lafleur K, Nevado C, Caflisch A. Huang D, et al. Among authors: caflisch a. Bioinformatics. 2010 Jan 15;26(2):198-204. doi: 10.1093/bioinformatics/btp650. Epub 2009 Nov 26. Bioinformatics. 2010. PMID: 19942586 Free article.

4

Complementing ultrafast shape recognition with an optical isomerism descriptor.

Zhou T, Lafleur K, Caflisch A. Zhou T, et al. Among authors: caflisch a. J Mol Graph Model. 2010 Nov;29(3):443-9. doi: 10.1016/j.jmgm.2010.08.007. Epub 2010 Sep 29. J Mol Graph Model. 2010. PMID: 20884264

5

Optimization of inhibitors of the tyrosine kinase EphB4. 2. Cellular potency improvement and binding mode validation by X-ray crystallography.

Lafleur K, Dong J, Huang D, Caflisch A, Nevado C. Lafleur K, et al. Among authors: caflisch a. J Med Chem. 2013 Jan 10;56(1):84-96. doi: 10.1021/jm301187e. Epub 2012 Dec 19. J Med Chem. 2013. PMID: 23253074

6

Experimental and computational study of BODIPY dye-labeled cavitand dynamics.

Pochorovski I, Knehans T, Nettels D, Müller AM, Schweizer WB, Caflisch A, Schuler B, Diederich F. Pochorovski I, et al. Among authors: caflisch a. J Am Chem Soc. 2014 Feb 12;136(6):2441-9. doi: 10.1021/ja4104292. Epub 2014 Feb 3. J Am Chem Soc. 2014. PMID: 24490940 Free article.

7

Discovery of a novel chemotype of tyrosine kinase inhibitors by fragment-based docking and molecular dynamics.

Zhao H, Dong J, Lafleur K, Nevado C, Caflisch A. Zhao H, et al. Among authors: caflisch a. ACS Med Chem Lett. 2012 Aug 23;3(10):834-8. doi: 10.1021/ml3001984. eCollection 2012 Oct 11. ACS Med Chem Lett. 2012. PMID: 24900387 Free PMC article.

8

Pyrrolo[3,2-b]quinoxaline derivatives as types I1/2 and II Eph tyrosine kinase inhibitors: structure-based design, synthesis, and in vivo validation.

Unzue A, Dong J, Lafleur K, Zhao H, Frugier E, Caflisch A, Nevado C. Unzue A, et al. Among authors: caflisch a. J Med Chem. 2014 Aug 14;57(15):6834-44. doi: 10.1021/jm5009242. Epub 2014 Jul 30. J Med Chem. 2014. PMID: 25076195

9

Concurrent cooperativity and substrate inhibition in the epoxidation of carbamazepine by cytochrome P450 3A4 active site mutants inspired by molecular dynamics simulations.

Müller CS, Knehans T, Davydov DR, Bounds PL, von Mandach U, Halpert JR, Caflisch A, Koppenol WH. Müller CS, et al. Among authors: caflisch a. Biochemistry. 2015 Jan 27;54(3):711-21. doi: 10.1021/bi5011656. Epub 2015 Jan 15. Biochemistry. 2015. PMID: 25545162 Free PMC article.

10

Fragment-Based Design of Selective Nanomolar Ligands of the CREBBP Bromodomain.

Unzue A, Xu M, Dong J, Wiedmer L, Spiliotopoulos D, Caflisch A, Nevado C. Unzue A, et al. Among authors: caflisch a. J Med Chem. 2016 Feb 25;59(4):1350-6. doi: 10.1021/acs.jmedchem.5b00172. Epub 2015 Jul 15. J Med Chem. 2016. PMID: 26043365

The selectivity for the CREBBP bromodomain over other human bromodomain subfamilies has achieved by a benzoate moiety which was predicted by docking to be involved in favorable electrostatic interactions with the Arg1173 side chain, a prediction that could be verifi …

The selectivity for the CREBBP bromodomain over other human bromodomain subfamilies has achieved by a benzoate moiety which was predi …

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

277 results

Search Page

Filters