Wolfgang Guba

According to our database, Wolfgang Guba authored at least 6 papers between 1975 and 2022.

Collaborative distances:

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

2022

The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare.

Patrick Penner, Wolfgang Guba, Robert Schmidt, Agnes Meyder, Martin Stahl, Matthias Rarey

J. Chem. Inf. Model., 2022

2016

Torsion Library Reloaded: A New Version of Expert-Derived SMARTS Rules for Assessing Conformations of Small Molecules.

Wolfgang Guba, Agnes Meyder, Matthias Rarey, Jérôme Hert

J. Chem. Inf. Model., 2016

2012

TFD: Torsion Fingerprints As a New Measure To Compare Small Molecule Conformations.

Tanja Schulz-Gasch, Christin Schärfer, Wolfgang Guba, Matthias Rarey

J. Chem. Inf. Model., 2012

2011

Cross-project HTS-datamining.

Wolfgang Guba, Daniel Stoffler

J. Cheminformatics, 2011

De novo design by pharmacophore-based searches in fragment spaces.

Tobias Lippert, Tanja Schulz-Gasch, Olivier Roche, Wolfgang Guba, Matthias Rarey

J. Comput. Aided Mol. Des., 2011

1975

Ein maximaler lokaler Algorithmus für Aufgaben der ganzzahligen linearen Optimierung.

Wolfgang Guba

J. Inf. Process. Cybern., 1975