Sharpening the Toolbox of Computational Chemistry: A New Approximation of Critical F-Values for Multiple Linear Regression. - Christian Kramer; Christofer S. Tautermann; David J. Livingstone; David W. Salt; David C. Whitley; Bernd Beck; Timothy Clark (J. Chem. Inf. Model., 2009)

Insolubility Classification with Accurate Prediction Probabilities Using a MetaClassifier. - Christian Kramer; Bernd Beck; Timothy Clark (J. Chem. Inf. Model., 2010)

A Surface-Integral Model for Log POW. - Christian Kramer; Bernd Beck; Timothy Clark (J. Chem. Inf. Model., 2010)

Leave-Cluster-Out Cross-Validation Is Appropriate for Scoring Functions Derived from Diverse Protein Data Sets. - Christian Kramer; Peter Gedeck (J. Chem. Inf. Model., 2010)

Global Free Energy Scoring Functions Based on Distance-Dependent Atom-Type Pair Descriptors. - Christian Kramer; Peter Gedeck (J. Chem. Inf. Model., 2011)

Three Descriptor Model Sets a High Standard for the CSAR-NRC HiQ Benchmark. - Christian Kramer; Peter Gedeck (J. Chem. Inf. Model., 2011)

Conformation-Dependent QSPR Models: logPOW. - Markus Muehlbacher; Ahmed M. El Kerdawy; Christian Kramer; Brian Hudson; Timothy Clark (J. Chem. Inf. Model., 2011)

Atomic multipoles: Electrostatic potential fit, local reference axis systems, and conformational dependence. - Christian Kramer; Peter Gedeck; Markus Meuwly (J. Comput. Chem., 2012)

MM/GBSA Binding Energy Prediction on the PDBbind Data Set: Successes, Failures, and Directions for Further Improvement. - Paulette A. Greenidge; Christian Kramer; Jean-Christophe Mozziconacci; Romain M. Wolf (J. Chem. Inf. Model., 2013)

Deriving Static Atomic Multipoles from the Electrostatic Potential. - Christian Kramer; Tristan Bereau; Alexander Spinn; Klaus R. Liedl; Peter Gedeck; Markus Meuwly (J. Chem. Inf. Model., 2013)

Substrate-Driven Mapping of the Degradome by Comparison of Sequence Logos. - Julian E. Fuchs; Susanne von Grafenstein; Roland G. Huber; Christian Kramer; Klaus R. Liedl (PLoS Comput. Biol., 2013)

Limits to molecular matched-pair analysis: the experimental uncertainty case. - Christian Kramer; Klaus R. Liedl (J. Cheminformatics, 2014)

Improving Docking Results via Reranking of Ensembles of Ligand Poses in Multiple X-ray Protein Conformations with MM-GBSA. - Paulette A. Greenidge; Christian Kramer; Jean-Christophe Mozziconacci; Woody Sherman (J. Chem. Inf. Model., 2014)

Introduction to the special issue: Data Part 2: Experimental Data. - Christian Kramer; John D. Chodera; Terry R. Stouch (J. Comput. Aided Mol. Des., 2015)

Strong Nonadditivity as a Key Structure-Activity Relationship Feature: Distinguishing Structural Changes from Assay Artifacts. - Christian Kramer; Julian E. Fuchs; Klaus R. Liedl (J. Chem. Inf. Model., 2015)

Protease Inhibitors in View of Peptide Substrate Databases. - Birgit J. Waldner; Julian E. Fuchs; Michael Schauperl; Christian Kramer; Klaus R. Liedl (J. Chem. Inf. Model., 2016)

Matched Molecular Series: Measuring SAR Similarity. - Emanuel S. R. Ehmki; Christian Kramer (J. Chem. Inf. Model., 2017)

Binding Pose Flip Explained via Enthalpic and Entropic Contributions. - Michael Schauperl; Paul Czodrowski; Julian E. Fuchs; Roland G. Huber; Birgit J. Waldner; Maren Podewitz; Christian Kramer; Klaus R. Liedl (J. Chem. Inf. Model., 2017)

mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets. - Andrew Dalke; Jérôme Hert; Christian Kramer (J. Chem. Inf. Model., 2018)

Nonadditivity Analysis. - Christian Kramer (J. Chem. Inf. Model., 2019)

Matched Molecular Series Analysis for ADME Property Prediction. - Mahendra Awale; Sereina Riniker; Christian Kramer (J. Chem. Inf. Model., 2020)

The Playbooks of Medicinal Chemistry Design Moves. - Mahendra Awale; Jérôme Hert; Laura Guasch; Sereina Riniker; Christian Kramer (J. Chem. Inf. Model., 2021)

A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. - Andreas Tosstorff; Markus G. Rudolph; Jason C. Cole; Michael Reutlinger; Christian Kramer; Hervé Schaffhauser; Agnès Nilly; Alexander Flohr; Bernd Kuhn (J. Comput. Aided Mol. Des., 2022)

From mundane to surprising nonadditivity: drivers and impact on ML models. - Laura Guasch; Niels Maeder; John G. Cumming; Christian Kramer (J. Comput. Aided Mol. Des., 2024)

The Need for Continuing Blinded Pose- and Activity Prediction Benchmarks. - Christian Kramer; John D. Chodera; Kelly L. Damm-Ganamet; Michael K. Gilson; Judith Guenther; Uta F. Lessel; Richard A. Lewis; David L. Mobley; Eva Nittinger; Adam Pecina; Matthieu Schapira; W. Patrick Walters (J. Chem. Inf. Model., 2025)