Molecular dynamics simulations of large macromolecular complexes

JR Perilla, BC Goh, CK Cassidy, B Liu… - Current opinion in …, 2015 - Elsevier
Connecting dynamics to structural data from diverse experimental sources, molecular
dynamics simulations permit the exploration of biological phenomena in unparalleled detail …

Unlocking the secret of lignin-enzyme interactions: Recent advances in develo** state-of-the-art analytical techniques

X Zhao, X Meng, AJ Ragauskas, C Lai, Z Ling… - Biotechnology …, 2022 - Elsevier
Bioconversion of renewable lignocellulosics to produce liquid fuels and chemicals is one of
the most effective ways to solve the problem of fossil resource shortage, energy security, and …

Mechanism of lignin inhibition of enzymatic biomass deconstruction

JV Vermaas, L Petridis, X Qi, R Schulz, B Lindner… - Biotechnology for …, 2015 - Springer
Background The conversion of plant biomass to ethanol via enzymatic cellulose hydrolysis
offers a potentially sustainable route to biofuel production. However, the inhibition of …

Molecular-level driving forces in lignocellulosic biomass deconstruction for bioenergy

L Petridis, JC Smith - Nature Reviews Chemistry, 2018 - nature.com
The plant cell wall biopolymers lignin, cellulose and hemicellulose are potential renewable
sources of clean biofuels and high-value chemicals. However, the complex 3D structure of …

Molecular origin of strength and stiffness in bamboo fibrils

S Youssefian, N Rahbar - Scientific reports, 2015 - nature.com
Bamboo, a fast-growing grass, has a higher strength-to-weight ratio than steel and concrete.
The unique properties of bamboo come from the natural composite structure of fibers that …

Recent progress in theoretical and computational studies on the utilization of lignocellulosic materials

Y Zhang, H He, Y Liu, Y Wang, F Huo, M Fan… - Green …, 2019 - pubs.rsc.org
Lignocellulosic materials were conventionally treated as wastes for disposal, but have now
become very important in modern life due to their great roles in the supply of renewable …

Inhibitory effects of lignin on enzymatic hydrolysis: The role of lignin chemistry and molecular weight

X Li, M Li, Y Pu, AJ Ragauskas, AS Klett, M Thies… - Renewable Energy, 2018 - Elsevier
Lignocellulose is a promising feedstock for biofuel production, while lignin poses a grand
challenge on the entire process, especially enzymatic hydrolysis. In this study, different types …

[HTML][HTML] Advancing plant cell wall modelling: Atomistic insights into cellulose, disordered cellulose, and hemicelluloses–A review

A Khodayari, U Hirn, S Spirk, Y Ogawa, D Seveno… - Carbohydrate …, 2024 - Elsevier
The complexity of plant cell walls on different hierarchical levels still impedes the detailed
understanding of biosynthetic pathways, interferes with processing in industry and finally …

Lignin-enhanced wet strength of cellulose-based materials: a sustainable approach

H Huang, C Xu, X Zhu, B Li, C Huang - Green Chemistry, 2023 - pubs.rsc.org
Cellulose is the most abundant renewable polymer resource in nature and cellulose-based
materials are expected to serve as viable replacements to petroleum-based plastic products …

A molecular investigation on lignin thermochemical conversion and carbonaceous organics deposition induced catalyst deactivation

C Chen, R Volpe, X Jiang - Applied Energy, 2021 - Elsevier
Surface coking is the primary deactivation pattern of metal-based catalyst in biofuel
reforming, which hinders the commercial utilisation of biomass. In this study, molecular …