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ORCIDClara D. Christ
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Journal Articles
- 2024
[j7]David Schaller, Clara D. Christ
, John D. Chodera, Andrea Volkamer:
Benchmarking Cross-Docking Strategies in Kinase Drug Discovery. J. Chem. Inf. Model. 64(23): 8848-8858 (2024)- 2016
- [j6]Bradley Sherborne, Veerabahu Shanmugasundaram, Alan C. Cheng, Clara D. Christ, Renee L. DesJarlais, José S. Duca, Richard A. Lewis, Deborah A. Loughney, Eric S. Manas, Georgia B. McGaughey, Catherine E. Peishoff, Herman van Vlijmen:
Collaborating to improve the use of free-energy and other quantitative methods in drug discovery. J. Comput. Aided Mol. Des. 30(12): 1139-1141 (2016) - 2014
- [j5]Clara D. Christ, Thomas Fox:
Accuracy Assessment and Automation of Free Energy Calculations for Drug Design. J. Chem. Inf. Model. 54(1): 108-120 (2014) - 2012
- [j4]Nathan Schmid, Clara D. Christ, Markus Christen, Andreas P. Eichenberger, Wilfred F. van Gunsteren:
Architecture, implementation and parallelisation of the GROMOS software for biomolecular simulation. Comput. Phys. Commun. 183(4): 890-903 (2012) - [j3]Clara D. Christ, Matthias Zentgraf, Jan M. Kriegl:
Mining Electronic Laboratory Notebooks: Analysis, Retrosynthesis, and Reaction Based Enumeration. J. Chem. Inf. Model. 52(7): 1745-1756 (2012) - 2010
- [j2]Clara D. Christ, Alan E. Mark, Wilfred F. van Gunsteren:
Basic ingredients of free energy calculations: A review. J. Comput. Chem. 31(8): 1569-1582 (2010) - 2009
- [j1]Clara D. Christ, Wilfred F. van Gunsteren:
Comparison of three enveloping distribution sampling Hamiltonians for the estimation of multiple free energy differences from a single simulation. J. Comput. Chem. 30(11): 1664-1679 (2009)
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