Benjamin Merget

According to our database, Benjamin Merget authored at least 6 papers between 2013 and 2026.

Collaborative distances:

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

2026

AutoPocket2CREST: Automating Binding Pocket Extraction for the CREST Conformer Generation Pipeline.

Christian Fellinger, Marion Sappl, András Szabadi, Benjamin Merget, Klaus-Jürgen Schleifer, Thierry Langer

J. Chem. Inf. Model., 2026

2025

GRADE and X-GRADE: Unveiling Novel Protein-Ligand Interaction Fingerprints Based on GRAIL Scores.

Christian Fellinger, Thomas Seidel, Benjamin Merget, Klaus-Jürgen Schleifer, Thierry Langer

J. Chem. Inf. Model., 2025

2017

Coupling Matched Molecular Pairs with Machine Learning for Virtual Compound Optimization.

Samo Turk, Benjamin Merget, Friedrich Rippmann, Simone Fulle

J. Chem. Inf. Model., December, 2017

2016

Conformational flexibility of DENV NS2B/NS3pro: from the inhibitor effect to the serotype influence.

Erika Piccirillo, Benjamin Merget, Christoph A. Sotriffer, Antonia T. do Amaral

J. Comput. Aided Mol. Des., 2016

2013

MycPermCheck: the Mycobacterium tuberculosis permeability prediction tool for small molecules.

Benjamin Merget, David Zilian, Tobias Müller, Christoph A. Sotriffer

J. Cheminformatics, 2013

MycPermCheck: the <i>Mycobacterium tuberculosis</i> permeability prediction tool for small molecules.

Benjamin Merget, David Zilian, Tobias Müller, Christoph A. Sotriffer

Bioinform., 2013