E-LIB Suche - Ergebnisse für: Kriegl, Jan M.

1

Virtual clinical QT exposure-response studies – A translati..:

Aguado-Sierra, Jazmin ; Dominguez-Gomez, Paula ; Amar, Ani...
Journal of Pharmacological and Toxicological Methods. 126 (2024) - p. 107498 , 2024

Link: https://doi.org/10.1016/..

2

Applications of Deep-Learning in Exploiting Large-Scale and..:

David, Laurianne ; Arús-Pous, Josep ; Karlsson, Johan...
Frontiers in Pharmacology. 10 (2019) - p. , 2019

Link: https://doi.org/10.3389/..

3

Computer-aided drug design at Boehringer Ingelheim:

Muegge, Ingo ; Bergner, Andreas ; Kriegl, Jan M.
Journal of Computer-Aided Molecular Design. 31 (2016) 3 - p. 275-285 , 2016

Link: https://doi.org/10.1007/..

4

Designing Multi‐target Compound Libraries with Gaussian Pro..:

Bieler, Michael ; Reutlinger, Michael ; Rodrigues, Tiago...
Molecular Informatics. 35 (2016) 5 - p. 192-198 , 2016

Link: https://doi.org/10.1002/..

5

The impact of data integrity on decision making in early le..:

Beck, Bernd ; Seeliger, Daniel ; Kriegl, Jan M.
Journal of Computer-Aided Molecular Design. 29 (2015) 9 - p. 911-921 , 2015

Link: https://doi.org/10.1007/..

6

What can we learn from molecular dynamics simulations for G..:

Tautermann, Christofer S. ; Seeliger, Daniel ; Kriegl, Jan M.
Computational and Structural Biotechnology Journal. 13 (2015) - p. 111-121 , 2015

Link: https://doi.org/10.1016/..

7

Rodent selectivity of piperidine-4-yl-1H-indoles, a series ..:

Kriegl, Jan M. ; Martyres, Domnic ; Grundl, Marc A....
Bioorganic & Medicinal Chemistry Letters. 25 (2015) 2 - p. 229-235 , 2015

Link: https://doi.org/10.1016/..

8

Mining Electronic Laboratory Notebooks: Analysis, Retrosynt..:

Christ, Clara D. ; Zentgraf, Matthias ; Kriegl, Jan M.
Journal of Chemical Information and Modeling. 52 (2012) 7 - p. 1745-1756 , 2012

Link: https://doi.org/10.1021/..

9

Target Profile Prediction: Cross‐Activation of Peroxisome P..:

Steri, Ramona ; Schneider, Petra ; Klenner, Alexander...
Molecular Informatics. 29 (2010) 4 - p. 287-292 , 2010

Link: https://doi.org/10.1002/..

10

Architectural Repertoire of Ligand‐Binding Pockets on Prote..:

Weisel, Martin ; Kriegl, Jan M. ; Schneider, Gisbert
ChemBioChem. 11 (2010) 4 - p. 556-563 , 2010

Link: https://doi.org/10.1002/..

11

Self-Organizing Fuzzy Graphs for Structure-Based Comparison..:

Reisen, Felix ; Weisel, Martin ; Kriegl, Jan M..
Journal of Proteome Research. 9 (2010) 12 - p. 6498-6510 , 2010

Link: https://doi.org/10.1021/..

12

Bias-Correction of Regression Models: A Case Study on hERG ..:

Hansen, Katja ; Rathke, Fabian ; Schroeter, Timon...
Journal of Chemical Information and Modeling. 49 (2009) 6 - p. 1486-1496 , 2009

Link: https://doi.org/10.1021/..

13

Form follows function: Shape analysis of protein cavities f..:

Weisel, Martin ; Proschak, Ewgenij ; Kriegl, Jan M..
PROTEOMICS. 9 (2009) 2 - p. 451-459 , 2009

Link: https://doi.org/10.1002/..

14

Multivariate modeling of cytochrome P450 3A4 inhibition:

Kriegl, Jan M. ; Eriksson, Lennart ; Arnhold, Thomas...
European Journal of Pharmaceutical Sciences. 24 (2005) 5 - p. 451-463 , 2005

Link: https://doi.org/10.1016/..

15

A support vector machine approach to classify human cytochr..:

Kriegl, Jan M. ; Arnhold, Thomas ; Beck, Bernd.
Journal of Computer-Aided Molecular Design. 19 (2005) 3 - p. 189-201 , 2005

Link: https://doi.org/10.1007/..