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Molecular Informatics|August 3, 2016
Quality Issues with Public Domain Chemogenomics DataTuomo Kalliokoski, Christian Kramer, Anna VulpettiJournal of Chemical Information and Modeling|May 6, 2020
Matched Molecular Series Analysis for ADME Property PredictionMahendra Awale, Sereina Riniker, Christian KramerJournal of Chemical Information and Modeling|January 22, 2010
Insolubility classification with accurate prediction probabilities using a MetaClassifierChristian Kramer, Bernd Beck, Timothy ClarkThe Journal of Chemical Physics|June 8, 2015
Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational studyPierre-André Cazade, Halina Tran, Tristan Bereau, et al.The Journal of Chemical Physics|January 17, 2015
A comparative analysis of clustering algorithms: O2 migration in truncated hemoglobin I from transition networksPierre-André Cazade, Wenwei Zheng, Diego Prada-Gracia, et al.The Journal of Biological Chemistry|August 23, 2006
Allosteric control of cyclic di-GMP signalingBeat Christen, Matthias Christen, Ralf Paul, et al.The Journal of Physical Chemistry. A|October 16, 2023
Experimental and Theoretical Studies of Hyperthermal N + O2 CollisionsAdriana Caracciolo, Juan Carlos San Vicente Veliz, Dandan Lu, et al.The Journal of Chemical Physics|January 23, 2022
Machine learning product state distributions from initial reactant states for a reactive atom-diatom collision systemJulian Arnold, Juan Carlos San Vicente Veliz, Debasish Koner, et al.Journal of Chemical Theory and Computation|November 21, 2015
Charge Anisotropy: Where Atomic Multipoles Matter MostChristian Kramer, Alexander Spinn, Klaus R LiedlPhysical Chemistry Chemical Physics : PCCP|October 21, 2022
Hydration dynamics and IR spectroscopy of 4-fluorophenolSeyedeh Maryam Salehi, Silvan Käser, Kai Töpfer, et al.Pageof 34