0000-0003-4539-4819 Employment
Employment history is unavailable.
Education
Education history is unavailable.
Projects & Funding
Projects & funding information is unavailable.
Publications (41)
- Rapid, accurate, and reproducible de novo prediction of resistance to antituberculars Save
- Equilibrium and Non-equilibrium Ensemble Methods for Accurate, Precise and Reproducible Absolute Binding Free Energy Calculations Save
- Equilibrium and Non-equilibrium Ensemble Methods for Accurate, Precise and Reproducible Absolute Binding Free Energy Calculations Save
- Equilibrium and Non-equilibrium Ensemble Methods for Accurate, Precise and Reproducible Absolute Binding Free Energy Calculations Save
- Optimal Molecular Design: Generative Active Learning Combining REINVENT with Absolute Binding Free Energy Simulations Save
- Long timescale ensemble methods in molecular dynamics: Ligand-protein interactions and allostery in SARS-CoV-2 targets Save
- Long timescale ensemble methods in molecular dynamics: Ligand-protein interactions and allostery in SARS-CoV-2 targets Save
- TIES 2.0: A Dual-Topology Open Source Relative Binding Free Energy Builder with Web Portal Save
- Large Scale Study of Ligand-Protein Relative Binding Free Energy Calculations: Actionable Predictions from Statistically Robust Protocols Save
- Which corners to cut? Guidelines on choosing optimal settings to maximise sampling with limited computational resources Save