Clara D. Christ

Publication Activity (10 Years)

Years Active: 2009-2016
Publications (10 Years): 1

Top Topics

Intelligent Software

Quantitative Methods

Belief Propagation

Top Venues

J. Chem. Inf. Model.

Comput. Phys. Commun.

J. Comput. Aided Mol. Des.

Publications

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) (2016)
Clara D. Christ, Thomas Fox
Accuracy Assessment and Automation of Free Energy Calculations for Drug Design. J. Chem. Inf. Model. 54 (1) (2014)
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) (2012)
Clara D. Christ, Matthias Zentgraf, Jan M. Kriegl
Mining Electronic Laboratory Notebooks: Analysis, Retrosynthesis, and Reaction Based Enumeration. J. Chem. Inf. Model. 52 (7) (2012)
Clara D. Christ, Alan E. Mark, Wilfred F. van Gunsteren
Basic ingredients of free energy calculations: A review. J. Comput. Chem. 31 (8) (2010)
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) (2009)