femfold
Femfold is a computational framework that integrates finite element methods with models of macromolecular folding to simulate the mechanical aspects of folding processes in biomolecules and synthetic polymers. The approach treats a molecule as a deformable continuum mesh, with material properties assigned to capture elasticity, bending, and torsion, and uses energy-based or dynamic simulations to evolve the conformation toward lower-energy states.
Methodology: The mesh discretizes a molecular domain; interactions such as hydrogen bonding, hydrophobic effects, and steric
Origins and usage: The term emerged in computational modeling discussions during the 2010s; it has appeared
Applications and limitations: Femfold can model large-scale deformations and mechanical constraints that are difficult for fully
See also: Finite element method, protein folding, multiscale modeling, computational biology.