4 citations · 4 across the 2 of their papers we have counts for
Showing q-bio.BMShow all
2 papers · 1 filter
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.BM2025★ 4 cited
Software package for simulations using the coarse-grained CALVADOS model
Sören von Bülow, Ikki Yasuda, Fan Cao +6
We present the CALVADOS package for performing simulations of biomolecules using OpenMM and the coarse-grained CALVADOS model. The package makes it easy to run simulations using th…