Jagna Witek

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

Shuzhe Wang, Jagna Witek, Gregory A. Landrum et al. · Journal of Chemical Information and Modeling · 2020 · 226 citations · Full text

Small Rings, Engineering, Geometry +14

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

Jagna Witek, Bettina G. Keller, Markus Blatter et al. · Journal of Chemical Information and Modeling · 2016 · 113 citations

Biophysical Modeling, Engineering, Peptide Engineering +23

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

Jagna Witek, Shuzhe Wang, Benjamin Schroeder et al. · Journal of Chemical Information and Modeling · 2018 · 71 citations · Full text

Cross-Linked Collagen Triple Helices by Oxime Ligation

Nina B. Hentzen, Linde E. J. Smeenk, Jagna Witek et al. · Journal of the American Chemical Society · 2017 · 69 citations

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

Jagna Witek, Max E. Mühlbauer, Bettina G. Keller et al. · ChemPhysChem · 2017 · 61 citations

Membrane Structure, Proteinlipid Interaction, Membrane Permeability +16