33 citations · 33 across the 3 of their papers we have counts for
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q-bio.BM2026
Training a force field for proteins and small molecules from scratch
Alexandre Blanco-González, Thea K Schulze, Evianne Rovers +1
Force fields for molecular dynamics are usually developed manually, limiting their transferability and making systematic exploration of functional forms challenging. We developed a…
q-bio.BM2024
Reversible molecular simulation for training classical and machine learning force fields
Joe G Greener
The next generation of force fields for molecular dynamics will be developed using a wealth of data. Training systematically with experimental data remains a challenge, however, es…