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

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

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-03-28
DOI
https://doi.org/10.5281/zenodo.15103315
Primary Topic
Wood Treatment and Properties
Type
article
Field-Weighted Citation Impact
0.00
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article

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

Zenodo (CERN European Organization for Nuclear Research)
Wood Treatment and Properties
article

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

article en

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

Zenodo (CERN European Organization for Nuclear Research)
Universidade Estadual de Campinas (UNICAMP) (BR)
Openalex Percentile: Top 51%
Wood Treatment and Properties
DOIOpen Access PDFOpenAlex
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Unraveling the Mechanical Behavior of Softwood Secondary Cell Walls through Atomistic Simulations · Zenodo (CERN European Organization for Nuclear Research) (2025) | TGRS Research Map | TGRS