In silico approaches to identify polyphenol compounds as α-glucosidase and α-amylase inhibitors against type-II diabetes

J Riyaphan, DC Pham, MK Leong, CF Weng - Biomolecules, 2021 - mdpi.com
Type-II diabetes mellitus (T2DM) results from a combination of genetic and lifestyle factors,
and the prevalence of T2DM is increasing worldwide. Clinically, both α-glucosidase and α …

Interfacial Regulation via Anionic Surfactant Electrolyte Additive Promotes Stable (002)‐Textured Zinc Anodes at High Depth of Discharge

Y Lin, Y Li, Z Mai, G Yang… - Advanced Energy Materials, 2023 - Wiley Online Library
Aqueous zinc‐ion batteries have been identified as a viable option for grid energy storage.
However, their practical application is limited by the poor performances at a high use rate of …

Comparative roles of charge, π, and hydrophobic interactions in sequence-dependent phase separation of intrinsically disordered proteins

S Das, YH Lin, RM Vernon… - Proceedings of the …, 2020 - National Acad Sciences
Endeavoring toward a transferable, predictive coarse-grained explicit-chain model for
biomolecular condensates underlain by liquid–liquid phase separation (LLPS) of proteins …

Computational approaches to 3D modeling of RNA

C Laing, T Schlick - Journal of Physics: Condensed Matter, 2010 - iopscience.iop.org
Many exciting discoveries have recently revealed the versatility of RNA and its importance in
a variety of functions within the cell. Since the structural features of RNA are of major …

EMDataBank unified data resource for 3DEM

CL Lawson, A Patwardhan, ML Baker… - Nucleic acids …, 2016 - academic.oup.com
Abstract Three-dimensional Electron Microscopy (3DEM) has become a key experimental
method in structural biology for a broad spectrum of biological specimens from molecules to …

Bioinspired soft microrobots with precise magneto‐collective control for microvascular thrombolysis

M Xie, W Zhang, C Fan, C Wu, Q Feng, J Wu… - Advanced …, 2020 - Wiley Online Library
New‐era soft microrobots for biomedical applications need to mimic the essential structures
and collective functions of creatures from nature. Biocompatible interfaces, intelligent …

Molecular dynamics simulation of protein and protein–ligand complexes

R Shukla, T Tripathi - Computer-aided drug design, 2020 - Springer
Biomacromolecules, including proteins and their complexes, adopt multiple conformations
that are linked to their biological functions. Though some of the structural heterogeneity can …

Cryo-EM model validation recommendations based on outcomes of the 2019 EMDataResource challenge

CL Lawson, A Kryshtafovych, PD Adams, PV Afonine… - Nature …, 2021 - nature.com
This paper describes outcomes of the 2019 Cryo-EM Model Challenge. The goals were to
(1) assess the quality of models that can be produced from cryogenic electron microscopy …

Characteristics of coal-oxygen chemisorption at the low-temperature oxidation stage: DFT and experimental study

G Cheng, B Tan, Z Zhang, S Fu, W Haiyan, F Wang - Fuel, 2022 - Elsevier
Oxygen chemisorption on the surface of coal plays a key role in the low-temperature
oxidation of coal. Due to the complex molecular structure of coal, it is difficult to fully analyse …

EMDataBank. org: unified data resource for CryoEM

CL Lawson, ML Baker, C Best, C Bi… - Nucleic acids …, 2010 - academic.oup.com
Cryo-electron microscopy reconstruction methods are uniquely able to reveal structures of
many important macromolecules and macromolecular complexes. EMDataBank. org, a joint …