2 citations · 2 across the 3 of their papers we have counts for
3 papers
FlowBack-Adjoint: Physics-Aware and Energy-Guided Conditional Flow-Matching for All-Atom Protein Backmapping
Alex Berlaga, Michael S. Jones, Andrew L. Ferguson
Coarse-grained (CG) molecular models of proteins can substantially increase the time and length scales accessible to molecular dynamics simulations of proteins, but recovery of acc…
PLUMED Tutorials: a collaborative, community-driven learning ecosystem
Gareth A. Tribello, Massimiliano Bonomi, Giovanni Bussi +60
In computational physics, chemistry, and biology, the implementation of new techniques in a shared and open source software lowers barriers to entry and promotes rapid scientific p…
A Modular and Extensible CHARMM-Compatible Model for All-Atom Simulation of Polypeptoids
Alex Berlaga, Kaylyn Torkelson, Aniruddha Seal +2
Peptoids (N-substituted glycines) are a class of sequence-defined synthetic peptidomimetic polymers with applications including drug delivery, catalysis, and biomimicry. Classical…