David Ryan Glowacki

Exploring human-guided strategies for reaction network exploration: Interactive molecular dynamics in virtual reality as a tool for citizen scientists
Discovery of SARS-CoV-2 Mpro peptide inhibitors from modelling substrate and ligand binding
AutoMeKin2021: An open-source program for automated reaction discovery
ChemDyME: Kinetically Steered, Automated Mechanism Generation through Combined Molecular Dynamics and Master Equation Calculations