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Unraveling the Mechanical Behavior of Softwood Secondary Cell Walls through Atomistic Simulations

Year: 2025

Type: article

Abstract: Data from "Unraveling the Mechanical Behavior of Softwood Secondary Cell Walls through Atomistic Simulations" publication. Systems modeled: raw and equilibrated PDBs. MD Equilibration setup: basic NAMD config files to equilibrate the systems. Mechanical assays simulation: input, conversion CHARMM2LAMMPs, basic LAMMPs files. Analysis script: closest.jl, diffusion.jl, and residence.jl

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.15103314

Authors: Trentin, Lucas N., Cavalcanti Salvador de Alcântara, Amadeus, Batista, Carlos Guilherme Tissi, Skaf, Munir

Institution: Universidade Estadual de Campinas (UNICAMP)

Language: English

Topic: Polysaccharides and Plant Cell Walls

Subfield: Plant Science

Field: Agricultural and Biological Sciences

Domain: Life Sciences

Open Access status: green

OpenAlex ID: W6930671443

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