Caflisch A - Search Results

1

Decrypting Integrins by Mixed-Solvent Molecular Dynamics Simulations.

Ilie IM, Ehrhardt C, Caflisch A, Weitz-Schmidt G. Ilie IM, et al. Among authors: caflisch a. J Chem Inf Model. 2023 Jun 26;63(12):3878-3891. doi: 10.1021/acs.jcim.3c00480. Epub 2023 Jun 13. J Chem Inf Model. 2023. PMID: 37310029 Free PMC article.

2

Exhaustive docking of molecular fragments with electrostatic solvation.

Majeux N, Scarsi M, Apostolakis J, Ehrhardt C, Caflisch A. Majeux N, et al. Among authors: caflisch a. Proteins. 1999 Oct 1;37(1):88-105. Proteins. 1999. PMID: 10451553

3

Computer-Aided Design of Thrombin Inhibitors.

Caflisch A, Wälchli R, Ehrhardt C. Caflisch A, et al. News Physiol Sci. 1998 Aug;13:182-189. doi: 10.1152/physiologyonline.1998.13.4.182. News Physiol Sci. 1998. PMID: 11390786

4

Disorder at the Tips of a Disease-Relevant Aβ42 Amyloid Fibril: A Molecular Dynamics Study.

Ilie IM, Caflisch A. Ilie IM, et al. Among authors: caflisch a. J Phys Chem B. 2018 Dec 13;122(49):11072-11082. doi: 10.1021/acs.jpcb.8b05236. Epub 2018 Jul 17. J Phys Chem B. 2018. PMID: 29965774

5

In Silico Identification of JMJD3 Demethylase Inhibitors.

Esposito C, Wiedmer L, Caflisch A. Esposito C, et al. Among authors: caflisch a. J Chem Inf Model. 2018 Oct 22;58(10):2151-2163. doi: 10.1021/acs.jcim.8b00539. Epub 2018 Oct 3. J Chem Inf Model. 2018. PMID: 30226987

6

Simulation Studies of Amyloidogenic Polypeptides and Their Aggregates.

Ilie IM, Caflisch A. Ilie IM, et al. Among authors: caflisch a. Chem Rev. 2019 Jun 26;119(12):6956-6993. doi: 10.1021/acs.chemrev.8b00731. Epub 2019 Apr 11. Chem Rev. 2019. PMID: 30973229 Review.

7

Structural and Dynamic Insights into Redundant Function of YTHDF Proteins.

Li Y, Bedi RK, Moroz-Omori EV, Caflisch A. Li Y, et al. Among authors: caflisch a. J Chem Inf Model. 2020 Dec 28;60(12):5932-5935. doi: 10.1021/acs.jcim.0c01029. Epub 2020 Oct 19. J Chem Inf Model. 2020. PMID: 33073985

8

Flanking sequence preference modulates de novo DNA methylation in the mouse genome.

Mallona I, Ilie IM, Karemaker ID, Butz S, Manzo M, Caflisch A, Baubec T. Mallona I, et al. Among authors: caflisch a. Nucleic Acids Res. 2021 Jan 11;49(1):145-157. doi: 10.1093/nar/gkaa1168. Nucleic Acids Res. 2021. PMID: 33290556 Free PMC article.

9

Thermostable designed ankyrin repeat proteins (DARPins) as building blocks for innovative drugs.

Schilling J, Jost C, Ilie IM, Schnabl J, Buechi O, Eapen RS, Truffer R, Caflisch A, Forrer P. Schilling J, et al. Among authors: caflisch a. J Biol Chem. 2022 Jan;298(1):101403. doi: 10.1016/j.jbc.2021.101403. Epub 2021 Nov 15. J Biol Chem. 2022. PMID: 34793836 Free PMC article.

10

The role of the N-terminal amphipathic helix in bacterial YidC: Insights from functional studies, the crystal structure and molecular dynamics simulations.

Nass KJ, Ilie IM, Saller MJ, Driessen AJM, Caflisch A, Kammerer RA, Li X. Nass KJ, et al. Among authors: caflisch a. Biochim Biophys Acta Biomembr. 2022 Mar 1;1864(3):183825. doi: 10.1016/j.bbamem.2021.183825. Epub 2021 Dec 4. Biochim Biophys Acta Biomembr. 2022. PMID: 34871574 Free article.

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