Journal of chemical information and modelingNanostructuresPeptidesMolecular Dynamics SimulationProtein Conformationbeta-Strand
FibrilGen: A Python Package for Atomistic Modeling of Peptide β-Sheet Nanostructures.
Chao-Yu Yang, Aline F Miller, Alberto Saiani, Richard A Bryce
Published: 202510.1021/acs.jcim.5c02108
Abstract
For de novo peptide-based nanomaterials that rely on the rational design of the peptide primary sequence, a systematic approach to computationally model the diverse and complex potential nanostructures formed by self-assembling peptides would be of c…
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