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Clara D. Christ
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2010 – 2019
- 2016
- [j6]Bradley Sherborne, Veerabahu Shanmugasundaram
, Alan C. Cheng
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
Basic ingredients of free energy calculations: A review. J. Comput. Chem. 31(8): 1569-1582 (2010)
2000 – 2009
- 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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