Format
Sort by
Items per page

Send to

Choose Destination

Search results

Items: 16

1.

Total Synthesis of the Death Cap Toxin Phalloidin: Atropoisomer Selectivity Explained by Molecular-Dynamics Simulations.

Yao G, Joswig JO, Keller BG, Süssmuth RD.

Chemistry. 2019 Apr 29. doi: 10.1002/chem.201901888. [Epub ahead of print]

PMID:
31034701
2.

Exploring Rigid and Flexible Core Trivalent Sialosides for Influenza Virus Inhibition.

Kiran P, Bhatia S, Lauster D, Aleksić S, Fleck C, Peric N, Maison W, Liese S, Keller BG, Herrmann A, Haag R.

Chemistry. 2018 Dec 20;24(72):19373-19385. doi: 10.1002/chem.201804826. Epub 2018 Nov 22.

PMID:
30295350
3.

Estimation of the infinitesimal generator by square-root approximation.

Donati L, Heida M, Keller BG, Weber M.

J Phys Condens Matter. 2018 Oct 24;30(42):425201. doi: 10.1088/1361-648X/aadfc8. Epub 2018 Sep 7.

PMID:
30192232
4.

Girsanov reweighting for metadynamics simulations.

Donati L, Keller BG.

J Chem Phys. 2018 Aug 21;149(7):072335. doi: 10.1063/1.5027728.

PMID:
30134671
5.

Multiply Intercalator-Substituted Cu(II) Cyclen Complexes as DNA Condensers and DNA/RNA Synthesis Inhibitors.

Hormann J, Malina J, Lemke O, Hülsey MJ, Wedepohl S, Potthoff J, Schmidt C, Ott I, Keller BG, Brabec V, Kulak N.

Inorg Chem. 2018 May 7;57(9):5004-5012. doi: 10.1021/acs.inorgchem.8b00027. Epub 2018 Apr 23.

PMID:
29683319
6.

Interconversion Rates between Conformational States as Rationale for the Membrane Permeability of Cyclosporines.

Witek J, Mühlbauer M, Keller BG, Blatter M, Meissner A, Wagner T, Riniker S.

Chemphyschem. 2017 Dec 6;18(23):3309-3314. doi: 10.1002/cphc.201700995. Epub 2017 Nov 2.

PMID:
28921848
7.

Single-molecule FRET reveals the energy landscape of the full-length SAM-I riboswitch.

Manz C, Kobitski AY, Samanta A, Keller BG, Jäschke A, Nienhaus GU.

Nat Chem Biol. 2017 Nov;13(11):1172-1178. doi: 10.1038/nchembio.2476. Epub 2017 Sep 18.

PMID:
28920931
8.

Correction to Kinetic Models of Cyclosporin A in Polar and Apolar Environments Reveal Multiple Congruent Conformational States.

Witek J, Keller BG, Blatter M, Meissner A, Wagner T, Riniker S.

J Chem Inf Model. 2017 Sep 25;57(9):2393. doi: 10.1021/acs.jcim.7b00502. Epub 2017 Sep 12. No abstract available.

PMID:
28898064
9.

Broad substrate tolerance of tubulin tyrosine ligase enables one-step site-specific enzymatic protein labeling.

Schumacher D, Lemke O, Helma J, Gerszonowicz L, Waller V, Stoschek T, Durkin PM, Budisa N, Leonhardt H, Keller BG, Hackenberger CPR.

Chem Sci. 2017 May 1;8(5):3471-3478. doi: 10.1039/c7sc00574a. Epub 2017 Mar 20.

10.

Publisher's Note: "Density-based cluster algorithms for the identification of core sets" [J. Chem. Phys. 145, 164104 (2016)].

Lemke O, Keller BG.

J Chem Phys. 2016 Nov 21;145(19):199902. No abstract available.

PMID:
27875896
11.

Density-based cluster algorithms for the identification of core sets.

Lemke O, Keller BG.

J Chem Phys. 2016 Oct 28;145(16):164104.

PMID:
27802637
12.

Intradomain Allosteric Network Modulates Calcium Affinity of the C-Type Lectin Receptor Langerin.

Hanske J, Aleksić S, Ballaschk M, Jurk M, Shanina E, Beerbaum M, Schmieder P, Keller BG, Rademacher C.

J Am Chem Soc. 2016 Sep 21;138(37):12176-86. doi: 10.1021/jacs.6b05458. Epub 2016 Sep 8.

PMID:
27560542
13.

Kinetic Models of Cyclosporin A in Polar and Apolar Environments Reveal Multiple Congruent Conformational States.

Witek J, Keller BG, Blatter M, Meissner A, Wagner T, Riniker S.

J Chem Inf Model. 2016 Aug 22;56(8):1547-62. doi: 10.1021/acs.jcim.6b00251. Epub 2016 Jul 19. Erratum in: J Chem Inf Model. 2017 Sep 25;57(9):2393.

PMID:
27387150
14.

Variational Approach to Molecular Kinetics.

Nüske F, Keller BG, Pérez-Hernández G, Mey AS, Noé F.

J Chem Theory Comput. 2014 Apr 8;10(4):1739-52. doi: 10.1021/ct4009156. Epub 2014 Mar 6.

PMID:
26580382
15.

Complex RNA folding kinetics revealed by single-molecule FRET and hidden Markov models.

Keller BG, Kobitski A, Jäschke A, Nienhaus GU, Noé F.

J Am Chem Soc. 2014 Mar 26;136(12):4534-43. doi: 10.1021/ja4098719. Epub 2014 Mar 14.

16.

Modulation of a ligand's energy landscape and kinetics by the chemical environment.

Held M, Imhof P, Keller BG, Noé F.

J Phys Chem B. 2012 Nov 26;116(46):13597-607. doi: 10.1021/jp3006684. Epub 2012 Nov 14.

PMID:
23025812

Supplemental Content

Loading ...
Support Center