A computational study of cellulose regeneration: All-atom molecular dynamics simulations

Author:

Heasman PatrickORCID,Mehandzhiyski Aleksandar Y.ORCID,Ghosh SarbaniORCID,Zozoulenko IgorORCID

Publisher

Elsevier BV

Subject

Materials Chemistry,Polymers and Plastics,Organic Chemistry

Reference43 articles.

1. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers;Abraham;SoftwareX,2015

2. Dissolution state of cellulose in aqueous systems. 1. Alkaline solvents;Alves;Cellulose,2016

3. GROMACS 2022.1 manual (2022.1). Zenodo;Bauer,2022

4. Cellulose in NaOH–water based solvents: A review;Budtova;Cellulose,2016

5. Transition of cellulose crystalline structure and surface morphology of biomass as a function of ionic liquid pretreatment and its relation to enzymatic hydrolysis;Cheng,2011

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