Jagna Witek

Publication Activity (10 Years)

Years Active: 2013-2020
Publications (10 Years): 6

Top Topics

Relative Distance

Statistical Model

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Publications

Shuzhe Wang, Jagna Witek, Gregory A. Landrum, Sereina Riniker
Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 60 (4) (2020)
Jagna Witek, Shuzhe Wang, Benjamin Schroeder, Robin Lingwood, Andreas Dounas, Hans-Jörg Roth, Marianne Fouché, Markus Blatter, Oliver Lemke, Bettina G. Keller, Sereina Riniker
Rationalization of the Membrane Permeability Differences in a Series of Analogue Cyclic Decapeptides. J. Chem. Inf. Model. 59 (1) (2019)
Jagna Witek, Bettina G. Keller, Markus Blatter, Axel Meissner, Trixie Wagner, Sereina Riniker
Correction to Kinetic Models of Cyclosporin A in Polar and Apolar Environments Reveal Multiple Congruent Conformational States. J. Chem. Inf. Model. 57 (9) (2017)
Jagna Witek, Bettina G. Keller, Marie-Claude Blatter, Axel Meissner, Trixie Wagner, Sereina Riniker
Kinetic Models of Cyclosporin A in Polar and Apolar Environments Reveal Multiple Congruent Conformational States. J. Chem. Inf. Model. 56 (8) (2016)
Sabina Smusz, Stefan Mordalski, Jagna Witek, Krzysztof Rataj, Rafal Kafel, Andrzej J. Bojarski
. J. Chem. Inf. Model. 55 (4) (2015)
Stefan Mordalski, Jagna Witek, Sabina Smusz, Krzysztof Rataj, Andrzej J. Bojarski
Multiple conformational states in retrospective virtual screening - homology models vs. crystal structures: beta-2 adrenergic receptor case study. J. Cheminformatics 7 (2015)
Krzysztof Rataj, Jagna Witek, Stefan Mordalski, Tomasz Kosciólek, Andrzej J. Bojarski
Impact of Template Choice on Homology Model Efficiency in Virtual Screening. J. Chem. Inf. Model. 54 (6) (2014)
Jagna Witek, Krzysztof Rataj, Stefan Mordalski, Sabina Smusz, Tomasz Kosciólek, Andrzej J. Bojarski
Application of Structural Interaction Fingerpints (SIFts) into post-docking analysis - insight into activity and selectivity. J. Cheminformatics 5 (S-1) (2013)
Krzysztof Rataj, Jagna Witek, Stefan Mordalski, Tomasz Kosciólek, Andrzej J. Bojarski
R case study. J. Cheminformatics 5 (S-1) (2013)