Citations

If you use PyContact in a scientific publication, please cite:

PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations

Maximilian Scheurer, Peter Rodenkirch, Marc Siggel, Rafael C. Bernardi, Klaus Schulten, Emad Tajkhorshid and Till Rudack Biophysical Journal, Volume 114, Issue 3, 577-583

DOI: https://doi.org/10.1016/j.bpj.2017.12.003

Link to Full Text Article

Scientific Successes

• Molecular mechanism of extreme mechanostability in a pathogen adhesin, Lukas F. Milles, Klaus Schulten, Hermann E. Gaub, and Rafael C. Bernardi, Science 2018
• Combining in Vitro and in Silico Single-Molecule Force Spectroscopy to Characterize and Tune Cellulosomal Scaffoldin Mechanics, Tobias Verdorfer, Rafael C. Bernardi, Aylin Meinhold, Wolfgang Ott, Zaida Luthey-Schulten, Michael A. Nash, and Hermann E. Gaub, JACS 2017
• Molecular Mechanism of Flavin Photoprotection by Archaeal Dodecin: Photoinduced Electron Transfer and Mg2+-Promoted Proton Transfer, Maximilian Scheurer, Daria Brisker-Klaiman, and Andreas Dreuw, J. Phys. Chem. B 2017
• Computational reconstruction reveals a candidate magnetic biocompass to be likely irrelevant for magnetoreception, Ida Friis, Emil Sjulstok, and Ilia A. Solov’yov, Sci. Rep. 2017