most citedPLUMED Tutorials: a collaborative, community-driven learning ecosystem

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cond-mat.soft2024

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…