Clara D. Christ

Architecture, implementation and parallelisation of the GROMOS software for biomolecular simulation

Nathan Schmid, Clara D. Christ, Markus Christen et al. · Computer Physics Communications · 2011 · 317 citations

Engineering, Biomolecular Simulation, Computational Biology +9

Enveloping distribution sampling: A method to calculate free energy differences from a single simulation

Clara D. Christ, Wilfred F. van Gunsteren · The Journal of Chemical Physics · 2007 · 151 citations

Free Energy Differences, Engineering, Energy Efficiency +26

Effective-mode representation of non-Markovian dynamics: A hierarchical approximation of the spectral density. I. Application to single surface dynamics

Keith H. Hughes, Clara D. Christ, Irène Burghardt · The Journal of Chemical Physics · 2009 · 132 citations

Accuracy Assessment and Automation of Free Energy Calculations for Drug Design

Clara D. Christ, Thomas Fox · Journal of Chemical Information and Modeling · 2013 · 130 citations

Free Energy, Engineering, Chemical Analysis +19

Effective-mode representation of non-Markovian dynamics: A hierarchical approximation of the spectral density. II. Application to environment-induced nonadiabatic dynamics

Keith H. Hughes, Clara D. Christ, Irène Burghardt · The Journal of Chemical Physics · 2009 · 110 citations

Spectral Theory, Quantum Dynamic, Engineering +20