Sereina Riniker

Definition and testing of the GROMOS force-field versions 54A7 and 54B7

Nathan Schmid, Andreas P. Eichenberger, Alexandra Choutko et al. · European Biophysics Journal · 2011 · 2.5K citations · Full text

Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation

Sereina Riniker, Gregory A. Landrum · Journal of Chemical Information and Modeling · 2015 · 702 citations

Engineering, Geometry, Torsional Angles +22

Open-source platform to benchmark fingerprints for ligand-based virtual screening

Sereina Riniker, Gregory A. Landrum · Journal of Cheminformatics · 2013 · 381 citations · Full text

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

Similarity maps - a visualization strategy for molecular fingerprints and machine-learning methods

Sereina Riniker, Gregory A. Landrum · Journal of Cheminformatics · 2013 · 225 citations · Full text

Molecular Fingerprints, Engineering, Hit Identification +20