Time-Efficient Flexible Superposition of Medium-Sized Molecules and Molecular Fragments. - Christian Lemmen; Thomas Lengauer (German Conference on Bioinformatics, 1996)

Time-efficient flexible superposition of medium-sized molecules. - Christian Lemmen; Thomas Lengauer (J. Comput. Aided Mol. Des., 1997)

RigFit: A new approach to superimposing ligand molecules. - Christian Lemmen; Claus Hiller; Thomas Lengauer (J. Comput. Aided Mol. Des., 1998)

Engineering Support Vector Machine Kerneis That Recognize Translation Initialion Sites. - Alexander Zien; Gunnar Rätsch; Sebastian Mika; Bernhard Schölkopf; Christian Lemmen; Alexander J. Smola; Thomas Lengauer; Klaus-Robert Müller (German Conference on Bioinformatics, 1999)

Application of Parameter Optimization to Molecular Comparison Problems. - Christian Lemmen; Alexander Zien; Ralf Zimmer; Thomas Lengauer (Pacific Symposium on Biocomputing, 1999)

Computational methods for the structural alignment of molecules. - Christian Lemmen (GMD-Forschungszentrum Informationstechnik, 1999)

Computational methods for the structural alignment of molecules. - Christian Lemmen; Thomas Lengauer (J. Comput. Aided Mol. Des., 2000)

Active Learning in the Drug Discovery Process. - Manfred K. Warmuth; Gunnar Rätsch; Michael Mathieson; Jun Liao; Christian Lemmen (NIPS, 2001)

A Novel Shape-Feature Based Approach to Virtual Library Screening. - Santosh Putta; Christian Lemmen; Paul Beroza; Jonathan Greene (J. Chem. Inf. Comput. Sci., 2002)

Using Ensembles to Classify Compounds for Drug Discovery. - J. Kevin Lanctôt; Santosh Putta; Christian Lemmen; Jonathan Greene (J. Chem. Inf. Comput. Sci., 2003)

A Novel Subshape Molecular Descriptor. - Santosh Putta; John Eksterowicz; Christian Lemmen; Robert V. Stanton (J. Chem. Inf. Comput. Sci., 2003)

Active Learning with Support Vector Machines in the Drug Discovery Process. - Manfred K. Warmuth; Jun Liao; Gunnar Rätsch; Michael Mathieson; Santosh Putta; Christian Lemmen (J. Chem. Inf. Comput. Sci., 2003)

Second-generation de novo design: a view from a medicinal chemist perspective. - Andrea Zaliani; Krisztina Boda; Thomas Seidel; Achim Herwig; Christof H. Schwab; Johann Gasteiger; Holger Claussen 002; Christian Lemmen; Jörg Degen; Juri Pärn; Matthias Rarey (J. Comput. Aided Mol. Des., 2009)

KnowledgeSpace - a publicly available virtual chemistry space. - Carsten Detering; Holger Claussen 002; Marcus Gastreich; Christian Lemmen (J. Cheminformatics, 2010)

HYDEing the false positives - scoring for lead optimization. - Nadine Schneider; Gudrun Lange; Robert Klein; Christian Lemmen; Matthias Rarey (J. Cheminformatics, 2011)

Substantial improvements in large-scale redocking and screening using the novel HYDE scoring function. - Nadine Schneider; Sally A. Hindle; Gudrun Lange; Robert Klein; Jürgen Albrecht; Hans Briem; Kristin Beyer; Holger Claußen 002; Marcus Gastreich; Christian Lemmen; Matthias Rarey (J. Comput. Aided Mol. Des., 2012)

Discovery of Novel Histamine H4 and Serotonin Transporter Ligands Using the Topological Feature Tree Descriptor. - Robert Kiss; Mark Sandor; Anikó Gere; Éva Schmidt; György Balogh; Béla Kiss; László Molnár; Christian Lemmen; György M. Keserü (J. Chem. Inf. Model., 2012)

Accessing Open PHACTS: interactive exploration of compounds and targets from the semantic web. - Katrin Stierand; Tim Harder; Lothar Wissler; Christian Lemmen; Matthias Rarey (J. Cheminformatics, 2014)

SpaceGrow: efficient shape-based virtual screening of billion-sized combinatorial fragment spaces. - Sophia M. N. Hönig; Florian Flachsenberg; Christiane Ehrt; Alexander Neumann; Robert Schmidt 002; Christian Lemmen; Matthias Rarey (J. Comput. Aided Mol. Des., 2024)

Combining crystallographic and binding affinity data towards a novel dataset of small molecule overlays. - Sophia M. N. Hönig; Torben Gutermuth; Christiane Ehrt; Christian Lemmen; Matthias Rarey (J. Comput. Aided Mol. Des., 2025)