Molecular simulation for food protein–ligand interactions: A comprehensive review on principles, current applications, and emerging trends

Z Jin, Z Wei - Comprehensive Reviews in Food Science and …, 2024 - Wiley Online Library
In recent years, investigations on molecular interaction mechanisms between food proteins
and ligands have attracted much interest. The interaction mechanisms can supply much …

Exploring the interaction between myofibrillar proteins and pyrazine compounds: Based on molecular docking, molecular dynamics simulation, and multi-spectroscopy …

Y Yu, ASM Saleh, X Sun, Z Wang, Y Lu, D Zhang… - International Journal of …, 2023 - Elsevier
Flavor is one of the most important factors that affect consumers' preference for processed
meat products. This study aimed to investigate effects of heating on interaction between …

Developing Lipase Inhibitor as a Novel Approach to Address the Rice Bran Rancidity Issue─ A Critical Review

Q Li, K Liu, G Cai, X Yang, JCK Ngo - Journal of Agricultural and …, 2024 - ACS Publications
Rice bran is a valuable byproduct from the food processing industry, which contains
abundant protein, essential unsaturated fatty acids, and numerous bioactive compounds …

Developing an implicit solvation machine learning model for molecular simulations of ionic media

A Coste, E Slejko, J Zavadlav… - Journal of chemical …, 2023 - ACS Publications
Molecular dynamics (MD) simulations of biophysical systems require accurate modeling of
their native environment, ie, aqueous ionic solution, as it critically impacts the structure and …

LRRK2 Gly2019Ser Mutation Promotes ER Stress via Interacting with THBS1/TGF‐β1 in Parkinson's Disease

L Yao, F Lu, S Koc, Z Zheng, B Wang… - Advanced …, 2023 - Wiley Online Library
The gene mutations of LRRK2, which encodes leucine‐rich repeat kinase 2 (LRRK2), are
associated with one of the most prevalent monogenic forms of Parkinson's disease (PD) …

Enhancing plant-based cheese formulation through molecular docking and dynamic simulation of tocopherol and retinol complexes with zein, soy and almond …

S Yakoubi - Food Chemistry, 2024 - Elsevier
The current study addresses the growing demand for sustainable plant-based cheese
alternatives by employing molecular docking and deep learning algorithms to optimize …

Regulating the thermal properties of egg white by adding surfactants

J Jiang, J Zang, M Qing, Y Ma, X Yang, Y Chi… - Journal of Food …, 2024 - Elsevier
The essential pasteurization process in liquid egg white (EW) production often leads to
denaturation and solidification, causing pipe blockage and economic losses due to EW's …

Exploring the therapeutic potential of rutin through investigating its inhibitory mechanism on lactate dehydrogenase: Multi-spectral methods and computer simulation

P Ding, K Yang, H Wang, L Kuang, L Gao, J Luo… - Bioorganic …, 2024 - Elsevier
Lactate dehydrogenase (LDH), a crucial enzyme in anaerobic glycolysis, plays a pivotal role
in the energy metabolism of tumor cells, positioning it as a promising target for tumor …

[HTML][HTML] From amino acid analysis to improved gel properties: The role of dl-valine in Landaise goose myofibrillar protein

X Yan, H Li, X Wang, Z Hu, J Li, H Zheng, J Wang… - Food Chemistry: X, 2024 - Elsevier
The impact of exogenous limiting amino acids on protein gel formation was investigated to
enhance the gelation properties of Landaise goose myofibrillar protein (MP). Amino acid …

Phytomedicine Fructus Aurantii-derived two absorbed compounds unlock antidepressant and prokinetic multi-functions via modulating 5-HT3/GHSR

Q Zhao, J Liu, L Chen, Z Gao, M Lin, Y Wang… - Journal of …, 2024 - Elsevier
Abstract Ethnopharmacological relevance Fructus Aurantii (FA), a well-known
phytomedicine, has been employed to evoke antidepressant and prokinetic multi-functions …