Karl N. Kirschner

16 papers C 2Journal 12Unranked 1
YearRankTypeTitle / Venue / Authors
2023 J jnl
Determining Lennard-Jones Parameters Using Multiscale Target Data through Presampling-Enhanced, Surrogate-Assisted Global Optimization.
J. Chem. Inf. Model.
Max Müller, Alexander Hagg, Robin Strickstrock, Marco Hülsmann, Alexander Asteroth, Karl N. Kirschner, Dirk Reith
2023 J jnl
Open-Source Machine Learning in Computational Chemistry.
J. Chem. Inf. Model.
Alexander Hagg, Karl N. Kirschner
2022 J jnl
Mebendazole's Conformational Space and Its Predicted Binding to Human Heat-Shock Protein 90.
J. Chem. Inf. Model.
Walter Fiedler, Fabian Freisleben, Jasmin Wellbrock, Karl N. Kirschner
2022 J jnl
Optimizing Lennard-Jones parameters by coupling single molecule and ensemble target data.
Comput. Phys. Commun.
Robin Strickstrock, Marco Hülsmann, Dirk Reith, Karl N. Kirschner
2020 C conf
Teaching Technical Journalism with an Engineering Foundation.
EDUCON
Karl N. Kirschner, Susanne Keil, Katharina Seuser, Christine Siefer
2019 J jnl
ACPYPE update for nonuniform 1-4 scale factors: Conversion of the GLYCAM06 force field from AMBER to GROMACS.
SoftwareX
Austen Bernardi, Roland Faller, Dirk Reith, Karl N. Kirschner
2019 C conf
The International Chair - Concept and Benefits of a New Interdisciplinary Faculty Position.
EDUCON
Karl N. Kirschner, Jürgen Bode, Dirk Reith
2017 — ch.
Molecular Dynamics Simulation of Membrane Free Energy Profiles Using Accurate Force Field for Ionic Liquids.
Scientific Computing and Algorithms in Industrial Simulations
Thorsten Köddermann, Martin R. Schenk, Marco Hülsmann, Andreas Krämer, Karl N. Kirschner, Dirk Reith
2015 — conf
Optimizing Molecular Models Through Force-Field Parameterization via the Efficient Combination of Modular Program Packages.
FOMMS
Marco Hülsmann, Karl N. Kirschner, Andreas Krämer, Doron D. Heinrich, Ottmar Krämer-Fuhrmann, Dirk Reith
2014 J jnl
Structure-activity relationships of thiostrepton derivatives: implications for rational drug design.
J. Comput. Aided Mol. Des.
Antje Wolf, Sebastian Schoof, Sascha Baumann, Hans-Dieter Arndt, Karl N. Kirschner
2013 J jnl
Wolf
J. Chem. Inf. Model.
Ottmar Krämer-Fuhrmann, Jens Neisius, Niklas Gehlen, Dirk Reith, Karl N. Kirschner
2012 J jnl
Mathematics Meets Chemistry - Workflow-guided Evolving Software for Molecular Modelling.
ERCIM News
Dirk Reith, Karl N. Kirschner
2011 J jnl
A modern workflow for force-field development - Bridging quantum mechanics and atomistic computational models.
Comput. Phys. Commun.
Dirk Reith, Karl N. Kirschner
2010 J jnl
Reliable Pathways Toward Multiscale Modelling.
ERCIM News
Karl N. Kirschner, Axel Arnold, Astrid Maaß
2009 J jnl
Ramachandran-type plots for glycosidic linkages: Examples from molecular dynamic simulations using the Glycam06 force field.
J. Comput. Chem.
Amanda M. Salisburg, Ashley L. Deline, Katrina W. Lexa, George C. Shields, Karl N. Kirschner
1993 J jnl
Modeling of magic water clusters (H
J. Comput. Chem.
Marcus W. Jurema, Karl N. Kirschner, George C. Shields