Stefan G. Krimmer

Publication Activity (10 Years)

Years Active: 2015-2020
Publications (10 Years): 3

Top Topics

Test Case Selection

Mathematical Models

Molecular Dynamics Simulations

Experimental Data

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Kara J. Cutrona, Ana S. Newton, Stefan G. Krimmer, Julian Tirado-Rives, William L. Jorgensen
Metadynamics as a Postprocessing Method for Virtual Screening with Application to the Pseudokinase Domain of JAK2. J. Chem. Inf. Model. 60 (9) (2020)
Michael Betz, Tobias Wulsdorf, Stefan G. Krimmer, Gerhard Klebe
Impact of Surface Water Layers on Protein-Ligand Binding: How Well Are Experimental Data Reproduced by Molecular Dynamics Simulations in a Thermolysin Test Case? J. Chem. Inf. Model. 56 (1) (2016)
Stefan G. Krimmer, Gerhard Klebe
Thermodynamics of protein-ligand interactions as a reference for computational analysis: how to assess accuracy, reliability and relevance of experimental data. J. Comput. Aided Mol. Des. 29 (9) (2015)