Christian Kramer

Publication Activity (10 Years)

Years Active: 2009-2024
Publications (10 Years): 9

Top Topics

Human Immunodeficiency Virus

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

J. Cheminformatics

Publications

Laura Guasch, Niels Maeder, John G. Cumming, Christian Kramer
From mundane to surprising nonadditivity: drivers and impact on ML models. J. Comput. Aided Mol. Des. 38 (1) (2024)
Andreas Tosstorff, Markus G. Rudolph, Jason C. Cole, Michael Reutlinger, Christian Kramer, Hervé Schaffhauser, Agnès Nilly, Alexander Flohr, Bernd Kuhn
A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J. Comput. Aided Mol. Des. 36 (10) (2022)
Mahendra Awale, Jérôme Hert, Laura Guasch, Sereina Riniker, Christian Kramer
The Playbooks of Medicinal Chemistry Design Moves. J. Chem. Inf. Model. 61 (2) (2021)
Mahendra Awale, Sereina Riniker, Christian Kramer
Matched Molecular Series Analysis for ADME Property Prediction. J. Chem. Inf. Model. 60 (6) (2020)
Christian Kramer
Nonadditivity Analysis. J. Chem. Inf. Model. 59 (9) (2019)
Andrew Dalke, Jérôme Hert, Christian Kramer
mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets. J. Chem. Inf. Model. 58 (5) (2018)
Emanuel S. R. Ehmki, Christian Kramer
Matched Molecular Series: Measuring SAR Similarity. J. Chem. Inf. Model. 57 (5) (2017)
Michael Schauperl, Paul Czodrowski, Julian E. Fuchs, Roland G. Huber, Birgit J. Waldner, Maren Podewitz, Christian Kramer, Klaus R. Liedl
Binding Pose Flip Explained via Enthalpic and Entropic Contributions. J. Chem. Inf. Model. 57 (2) (2017)
Birgit J. Waldner, Julian E. Fuchs, Michael Schauperl, Christian Kramer, Klaus R. Liedl
Protease Inhibitors in View of Peptide Substrate Databases. J. Chem. Inf. Model. 56 (6) (2016)
Christian Kramer, John D. Chodera, Terry R. Stouch
Introduction to the special issue: Data Part 2: Experimental Data. J. Comput. Aided Mol. Des. 29 (9) (2015)
Christian Kramer, Julian E. Fuchs, Klaus R. Liedl
Strong Nonadditivity as a Key Structure-Activity Relationship Feature: Distinguishing Structural Changes from Assay Artifacts. J. Chem. Inf. Model. 55 (3) (2015)
Christian Kramer, Klaus R. Liedl
Limits to molecular matched-pair analysis: the experimental uncertainty case. J. Cheminformatics 6 (S-1) (2014)
Paulette A. Greenidge, Christian Kramer, Jean-Christophe Mozziconacci, Woody Sherman
Improving Docking Results via Reranking of Ensembles of Ligand Poses in Multiple X-ray Protein Conformations with MM-GBSA. J. Chem. Inf. Model. 54 (10) (2014)
Christian Kramer, Tristan Bereau, Alexander Spinn, Klaus R. Liedl, Peter Gedeck, Markus Meuwly
Deriving Static Atomic Multipoles from the Electrostatic Potential. J. Chem. Inf. Model. 53 (12) (2013)
Julian E. Fuchs, Susanne von Grafenstein, Roland G. Huber, Christian Kramer, Klaus R. Liedl
Substrate-Driven Mapping of the Degradome by Comparison of Sequence Logos. PLoS Comput. Biol. 9 (11) (2013)
Paulette A. Greenidge, Christian Kramer, Jean-Christophe Mozziconacci, Romain M. Wolf
MM/GBSA Binding Energy Prediction on the PDBbind Data Set: Successes, Failures, and Directions for Further Improvement. J. Chem. Inf. Model. 53 (1) (2013)
Christian Kramer, Peter Gedeck, Markus Meuwly
Atomic multipoles: Electrostatic potential fit, local reference axis systems, and conformational dependence. J. Comput. Chem. 33 (20) (2012)
Christian Kramer, Peter Gedeck
Three Descriptor Model Sets a High Standard for the CSAR-NRC HiQ Benchmark. J. Chem. Inf. Model. 51 (9) (2011)
Markus Muehlbacher, Ahmed El Kerdawy, Christian Kramer, Brian Hudson, Timothy Clark
. J. Chem. Inf. Model. 51 (9) (2011)
Christian Kramer, Peter Gedeck
Global Free Energy Scoring Functions Based on Distance-Dependent Atom-Type Pair Descriptors. J. Chem. Inf. Model. 51 (3) (2011)
Christian Kramer, Peter Gedeck
Leave-Cluster-Out Cross-Validation Is Appropriate for Scoring Functions Derived from Diverse Protein Data Sets. J. Chem. Inf. Model. 50 (11) (2010)
Christian Kramer, Bernd Beck, Timothy Clark
. J. Chem. Inf. Model. 50 (3) (2010)
Christian Kramer, Bernd Beck, Timothy Clark
Insolubility Classification with Accurate Prediction Probabilities Using a MetaClassifier. J. Chem. Inf. Model. 50 (3) (2010)
Christian Kramer, Christofer S. Tautermann, David J. Livingstone, David W. Salt, David C. Whitley, Bernd Beck, Timothy Clark
-Values for Multiple Linear Regression. J. Chem. Inf. Model. 49 (1) (2009)