Karl N. Kirschner

16 papers C 2Journal 12Unranked 1

Year	Rank	Type	Title / 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