Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free-Energy Calculations. - Lauren Nelson; Sofia Bariami; Chris Ringrose; Joshua T. Horton; Vadiraj Kurdekar; Antonia S. J. S. Mey; Julien Michel; Daniel J. Cole (J. Chem. Inf. Model., 2021)

Adaptive Lambda Scheduling: A Method for Computational Efficiency in Free Energy Perturbation Simulations. - Scott D. Midgley; Sofia Bariami; Matthew Habgood; Mark Mackey (J. Chem. Inf. Model., 2025)