Emanuel S. R. Ehmki

According to our database, Emanuel S. R. Ehmki authored at least 8 papers between 2016 and 2026.

Collaborative distances:

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

2026

Supporting Information for the StrAcTable publication.

Torben Gutermuth, Emanuel S. R. Ehmki, Florian Flachsenberg, Patrick Penner, Sophia M. N. Hönig, Tobias Harren, Matthias Rarey

Dataset, January, 2026

Enabling Automatic Generation of Protein-Ligand Complex Data Sets with Atomistic Detail.

Torben Gutermuth, Emanuel S. R. Ehmki, Florian Flachsenberg, Patrick Penner, Sophia M. N. Hönig, Tobias Harren, Matthias Rarey

J. Chem. Inf. Model., 2026

ActivityFinder: Toward the Fully Automatic Integration of Structural and Binding Affinity Data.

Emanuel S. R. Ehmki, Torben Gutermuth, Tobias Harren, Stefan Kurtz, Matthias Rarey

J. Chem. Inf. Model., 2026

2025

Supporting Information for the ActivityFinder publication.

Emanuel S. R. Ehmki, Torben Gutermuth, Tobias Harren, Stefan Kurtz, Matthias Rarey

Dataset, December, 2025

2019

Comparing Molecular Patterns Using the Example of SMARTS: Theory and Algorithms.

Robert Schmidt, Emanuel S. R. Ehmki, Farina Ohm, Hans-Christian Ehrlich, Andriy Mashychev, Matthias Rarey

J. Chem. Inf. Model., 2019

Comparing Molecular Patterns Using the Example of SMARTS: Applications and Filter Collection Analysis.

Emanuel S. R. Ehmki, Robert Schmidt, Farina Ohm, Matthias Rarey

J. Chem. Inf. Model., 2019

2017

Matched Molecular Series: Measuring SAR Similarity.

Emanuel S. R. Ehmki, Christian Kramer

J. Chem. Inf. Model., 2017

2016

Kinetic barriers in the isomerization of substituted ureas: implications for computer-aided drug design.

Johannes R. Loeffler, Emanuel S. R. Ehmki, Julian E. Fuchs, Klaus R. Liedl

J. Comput. Aided Mol. Des., 2016