Michelle Southey

Prediction of Small Molecule Hydration Thermodynamics with Grid Cell Theory

Georgios Gerogiokas, Gaetano Calabrò, Richard H. Henchman et al. · Journal of Chemical Theory and Computation · 2013 · 59 citations · Full text

Engineering, Gct Predictions, Experimental Thermodynamics +17

Ensemble-Based Steered Molecular Dynamics Predicts Relative Residence Time of A_2A Receptor Binders

Andrew Potterton, Fouad S. Husseini, Michelle Southey et al. · Journal of Chemical Theory and Computation · 2019 · 56 citations

Introduction to small molecule drug discovery and preclinical development

Michelle Southey, Michael Brunavs · Frontiers in Drug Discovery · 2023 · 54 citations · Full text

Total Cost, Drug Target, Engineering +20

Rapid and accurate assessment of GPCR–ligand interactions Using the fragment molecular orbital‐based density‐functional tight‐binding method

Iñaki Morao, Dmitri G. Fedorov, Roger Robinson et al. · Journal of Computational Chemistry · 2017 · 53 citations · Full text

Hotspot Identification and Drug Design of Protein–Protein Interaction Modulators Using the Fragment Molecular Orbital Method

Stefania Monteleone, Dmitri G. Fedorov, Andrea Townsend‐Nicholson et al. · Journal of Chemical Information and Modeling · 2022 · 31 citations