David McDonagh
St. Joe Community Foundation(US)
Publications by Year
Research Areas
Machine Learning in Materials Science, Protein Structure and Dynamics, Crystallography and molecular interactions, Enzyme Structure and Function, Advanced X-ray Imaging Techniques
Most-Cited Works
- → DIALS as a toolkit(2021)134 cited
- → Machine-Learned Fragment-Based Energies for Crystal Structure Prediction(2019)55 cited
- → Laue-DIALS: Open-source software for polychromatic x-ray diffraction data(2024)4 cited
- → Combining experimental and computational techniques for polymorph screening(2018)
- → Predicting Protein Crystal Solvent Content from Patterson Maps Using Machine Learning(2025)
- → Computational data for "Machine-Learnt Fragment-Based Energies for Crystal Structure Prediction"(2019)