Thomas Steinbrecher
Roche (Switzerland)(CH)
Publications by Year
Research Areas
Protein Structure and Dynamics, Computational Drug Discovery Methods, DNA and Nucleic Acid Chemistry, Photochemistry and Electron Transfer Studies, Spectroscopy and Quantum Chemical Studies
Most-Cited Works
- → Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field(2015)1,348 cited
- → Nonlinear scaling schemes for Lennard-Jones interactions in free energy calculations(2007)326 cited
- → Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects(2020)296 cited
- → Revised AMBER Parameters for Bioorganic Phosphates(2012)288 cited
- → Soft‐core potentials in thermodynamic integration: Comparing one‐ and two‐step transformations(2011)234 cited
- → Automated Transition State Search and Its Application to Diverse Types of Organic Reactions(2017)172 cited
- → Controlling Biological Activity with Light: Diarylethene‐Containing Cyclic Peptidomimetics(2014)160 cited
- → Towards Accurate Free Energy Calculations in Ligand Protein-Binding Studies(2010)158 cited
- → Accurate Binding Free Energy Predictions in Fragment Optimization(2015)155 cited
- → Predicting the Effect of Amino Acid Single-Point Mutations on Protein Stability—Large-Scale Validation of MD-Based Relative Free Energy Calculations(2016)113 cited