Jagna Witek

According to our database, Jagna Witek authored at least 9 papers between 2013 and 2020.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2020

Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences.

Shuzhe Wang, Jagna Witek, Gregory A. Landrum, Sereina Riniker

J. Chem. Inf. Model., 2020

2019

Rationalization of the Membrane Permeability Differences in a Series of Analogue Cyclic Decapeptides.

Jagna Witek, Shuzhe Wang, Benjamin Schroeder, Robin Lingwood, Andreas Dounas, Hans-Jörg Roth, Marianne Fouché, Markus Blatter, Oliver Lemke, Bettina G. Keller, Sereina Riniker

J. Chem. Inf. Model., 2019

2017

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

Jagna Witek, Bettina G. Keller, Markus Blatter, Axel Meissner, Trixie Wagner, Sereina Riniker

J. Chem. Inf. Model., September, 2017

2016

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

Jagna Witek, Bettina G. Keller, Marie-Claude Blatter, Axel Meissner, Trixie Wagner, Sereina Riniker

J. Chem. Inf. Model., 2016

2015

Multi-Step Protocol for Automatic Evaluation of Docking Results Based on Machine Learning Methods - A Case Study of Serotonin Receptors 5-HT₆ and 5-HT₇.

Sabina Smusz, Stefan Mordalski, Jagna Witek, Krzysztof Rataj, Rafal Kafel, Andrzej J. Bojarski

J. Chem. Inf. Model., 2015

Multiple conformational states in retrospective virtual screening - homology models vs. crystal structures: beta-2 adrenergic receptor case study.

Stefan Mordalski, Jagna Witek, Sabina Smusz, Krzysztof Rataj, Andrzej J. Bojarski

J. Cheminformatics, 2015

2014

Impact of Template Choice on Homology Model Efficiency in Virtual Screening.

Krzysztof Rataj, Jagna Witek, Stefan Mordalski, Tomasz Kosciólek, Andrzej J. Bojarski

J. Chem. Inf. Model., 2014

2013

Application of Structural Interaction Fingerpints (SIFts) into post-docking analysis - insight into activity and selectivity.

Jagna Witek, Krzysztof Rataj, Stefan Mordalski, Sabina Smusz, Tomasz Kosciólek, Andrzej J. Bojarski

J. Cheminformatics, 2013

The importance of template choice in homology modeling. A 5-HT₆R case study.

Krzysztof Rataj, Jagna Witek, Stefan Mordalski, Tomasz Kosciólek, Andrzej J. Bojarski

J. Cheminformatics, 2013