Karl N. Kirschner

Publication Activity (10 Years)

Years Active: 1993-2023
Publications (10 Years): 7

Top Topics

Computational Chemistry

Active Contour Model

Top Venues

J. Chem. Inf. Model.

Publications

Alexander Hagg, Karl N. Kirschner
Open-Source Machine Learning in Computational Chemistry. J. Chem. Inf. Model. 63 (15) (2023)
Max Müller, Alexander Hagg, Robin Strickstrock, Marco Hülsmann, Alexander Asteroth, Karl N. Kirschner, Dirk Reith
Determining Lennard-Jones Parameters Using Multiscale Target Data through Presampling-Enhanced, Surrogate-Assisted Global Optimization. J. Chem. Inf. Model. 63 (7) (2023)
Walter Fiedler, Fabian Freisleben, Jasmin Wellbrock, Karl N. Kirschner
Mebendazole's Conformational Space and Its Predicted Binding to Human Heat-Shock Protein 90. J. Chem. Inf. Model. 62 (15) (2022)
Robin Strickstrock, Marco Hülsmann, Dirk Reith, Karl N. Kirschner
Optimizing Lennard-Jones parameters by coupling single molecule and ensemble target data. Comput. Phys. Commun. 274 (2022)
Karl N. Kirschner, Susanne Keil, Katharina Seuser, Christine Siefer
Teaching Technical Journalism with an Engineering Foundation. EDUCON (2020)
Karl N. Kirschner, Jürgen Bode, Dirk Reith
The International Chair - Concept and Benefits of a New Interdisciplinary Faculty Position. EDUCON (2019)
Austen Bernardi, Roland Faller, Dirk Reith, Karl N. Kirschner
ACPYPE update for nonuniform 1-4 scale factors: Conversion of the GLYCAM06 force field from AMBER to GROMACS. SoftwareX 10 (2019)
Marco Hülsmann, Karl N. Kirschner, Andreas Krämer, Doron D. Heinrich, Ottmar Krämer-Fuhrmann, Dirk Reith
Optimizing Molecular Models Through Force-Field Parameterization via the Efficient Combination of Modular Program Packages. FOMMS (2015)
Antje Wolf, Sebastian Schoof, Sascha Baumann, Hans-Dieter Arndt, Karl N. Kirschner
Structure-activity relationships of thiostrepton derivatives: implications for rational drug design. J. Comput. Aided Mol. Des. 28 (12) (2014)
Ottmar Krämer-Fuhrmann, Jens Neisius, Niklas Gehlen, Dirk Reith, Karl N. Kirschner
Pack - Portal Based Atomistic Force-Field Development. J. Chem. Inf. Model. 53 (4) (2013)
Dirk Reith, Karl N. Kirschner
Mathematics Meets Chemistry - Workflow-guided Evolving Software for Molecular Modelling. ERCIM News 2012 (88) (2012)
Dirk Reith, Karl N. Kirschner
A modern workflow for force-field development - Bridging quantum mechanics and atomistic computational models. Comput. Phys. Commun. 182 (10) (2011)
Karl N. Kirschner, Axel Arnold, Astrid Maaß
Reliable Pathways Toward Multiscale Modelling. ERCIM News 2010 (81) (2010)
Amanda M. Salisburg, Ashley L. Deline, Katrina W. Lexa, George C. Shields, Karl N. Kirschner
Ramachandran-type plots for glycosidic linkages: Examples from molecular dynamic simulations using the Glycam06 force field. J. Comput. Chem. 30 (6) (2009)
Marcus W. Jurema, Karl N. Kirschner, George C. Shields
with the PM3 quantum-mechanical method. J. Comput. Chem. 14 (11) (1993)