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Journal of Computational Chemistry|May 1, 2012
Atomic multipoles: electrostatic potential fit, local reference axis systems, and conformational dependenceChristian Kramer, Peter Gedeck, Markus MeuwlyJournal of Chemical Theory and Computation|November 21, 2015
Multipole-Based Force Fields from ab Initio Interaction Energies and the Need for Jointly Refitting All Intermolecular ParametersChristian Kramer, Peter Gedeck, Markus MeuwlyJournal of Chemical Information and Modeling|December 6, 2013
Deriving static atomic multipoles from the electrostatic potentialChristian Kramer, Tristan Bereau, Alexander Spinn, et al.Journal of Chemical Information and Modeling|October 13, 2010
Leave-cluster-out cross-validation is appropriate for scoring functions derived from diverse protein data setsChristian Kramer, Peter GedeckJournal of Chemical Information and Modeling|February 23, 2011
Global free energy scoring functions based on distance-dependent atom-type pair descriptorsChristian Kramer, Peter GedeckJournal of Chemical Information and Modeling|June 1, 2011
Three descriptor model sets a high standard for the CSAR-NRC HiQ benchmarkChristian Kramer, Peter GedeckJournal of Chemical Theory and Computation|November 24, 2015
Leveraging Symmetries of Static Atomic Multipole Electrostatics in Molecular Dynamics SimulationsTristan Bereau, Christian Kramer, Markus MeuwlyPlos One|April 25, 2013
Comparability of mixed IC₅₀ data - a statistical analysisTuomo Kalliokoski, Christian Kramer, Anna Vulpetti, et al.Journal of Medicinal Chemistry|May 31, 2012
The experimental uncertainty of heterogeneous public K(i) dataChristian Kramer, Tuomo Kalliokoski, Peter Gedeck, et al.Journal of Medicinal Chemistry|April 18, 2014
Matched molecular pair analysis: significance and the impact of experimental uncertaintyChristian Kramer, Julian E Fuchs, Steven Whitebread, et al.Pageof 34