Clara D. Christ
Computational Physics (United States)(US)
Publications by Year
Research Areas
Protein Structure and Dynamics, Computational Drug Discovery Methods, Spectroscopy and Quantum Chemical Studies, Protein Degradation and Inhibitors, Advanced Chemical Physics Studies
Most-Cited Works
- → Basic ingredients of free energy calculations: A review(2009)395 cited
- → Architecture, implementation and parallelisation of the GROMOS software for biomolecular simulation(2011)320 cited
- → Enveloping distribution sampling: A method to calculate free energy differences from a single simulation(2007)151 cited
- → Effective-mode representation of non-Markovian dynamics: A hierarchical approximation of the spectral density. I. Application to single surface dynamics(2009)133 cited
- → Accuracy Assessment and Automation of Free Energy Calculations for Drug Design(2013)131 cited
- → Effective-mode representation of non-Markovian dynamics: A hierarchical approximation of the spectral density. II. Application to environment-induced nonadiabatic dynamics(2009)111 cited
- → Mining Electronic Laboratory Notebooks: Analysis, Retrosynthesis, and Reaction Based Enumeration(2012)104 cited
- → Multiple free energies from a single simulation: Extending enveloping distribution sampling to nonoverlapping phase-space distributions(2008)98 cited
- → Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (BAY-598) for the Protein Lysine Methyltransferase SMYD2(2016)86 cited
- → Calculation of Relative Free Energies for Ligand-Protein Binding, Solvation, and Conformational Transitions Using the GROMOS Software(2011)83 cited