Hannah E. Bruce Macdonald
Mucolipidosis IV Foundation(US)
Publications by Year
Research Areas
Protein Structure and Dynamics, Computational Drug Discovery Methods, Lipid Membrane Structure and Behavior, RNA and protein synthesis mechanisms, Crystallography and molecular interactions
Most-Cited Works
- → Relational ethics and advocacy in nursing: literature review(2007)106 cited
- → Towards chemical accuracy for alchemical free energy calculations with hybrid physics-based machine learning / molecular mechanics potentials(2020)105 cited
- → End-to-end differentiable construction of molecular mechanics force fields(2022)84 cited
- → Best Practices for Constructing, Preparing, and Evaluating Protein-Ligand Binding Affinity Benchmarks [Article v1.0](2022)74 cited
- → Water molecules at protein–drug interfaces: computational prediction and analysis methods(2021)67 cited
- → Replica-Exchange and Standard State Binding Free Energies with Grand Canonical Monte Carlo(2017)58 cited
- → Ligand Binding Free Energies with Adaptive Water Networks: Two-Dimensional Grand Canonical Alchemical Perturbations(2018)51 cited
- → grand: A Python Module for Grand Canonical Water Sampling in OpenMM(2020)42 cited
- → Influence of Aptamer Surface Coverage on Small Target Recognition: A SPR and QCM-D Comparative Study(2019)30 cited
- → Best Practices for Alchemical Free Energy Calculations [Article v1.0](2019)26 cited