Biophysical Chemistry
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- 2018
- The spatial range of protein hydration
- Systematic Tuning of Fluoro-galectin-3 Interactions Provides Thiodigalactoside Derivatives with Single-Digit nM Affinity and High Selectivity
- Protein-water interactions studied by molecular dynamics simulations
- Prediction of binding poses to FXR using multi-targeted docking combined with molecular dynamics and enhanced sampling
- The geometry of protein hydration
- Compressibility of the protein-water interface
- Backbone 1H, 13C, and 15N resonance assignments of the ligand binding domain of the human wildtype glucocorticoid receptor and the F602S mutant variant
- Chemical Shifts of the Carbohydrate Binding Domain of Galectin-3 from Magic Angle Spinning NMR and Hybrid Quantum Mechanics/Molecular Mechanics Calculations
- Designing interactions by control of protein-ligand complex conformation : Tuning arginine-arene interaction geometry for enhanced electrostatic protein-ligand interactions
- How proteins modify water dynamics