Two decades of Martini: Better beads, broader scope
The Martini model, a coarse‐grained force field for molecular dynamics simulations, has
been around for nearly two decades. Originally developed for lipid‐based systems by the …
been around for nearly two decades. Originally developed for lipid‐based systems by the …
Antimicrobial metal nanomaterials: from passive to stimuli‐activated applications
The development of antimicrobial drug resistance among pathogenic bacteria and fungi is
one of the most significant health issues of the 21st century. Recently, advances in …
one of the most significant health issues of the 21st century. Recently, advances in …
Systematic comparison of the structural and dynamic properties of commonly used water models for molecular dynamics simulations
SP Kadaoluwa Pathirannahalage… - Journal of Chemical …, 2021 - ACS Publications
Water is a unique solvent that is ubiquitous in biology and present in a variety of solutions,
mixtures, and materials settings. It therefore forms the basis for all molecular dynamics …
mixtures, and materials settings. It therefore forms the basis for all molecular dynamics …
Phospholipids and cholesterol: Inducers of cancer multidrug resistance and therapeutic targets
J Kopecka, P Trouillas, AČ Gašparović, E Gazzano… - Drug resistance …, 2020 - Elsevier
Lipids, phospholipids and cholesterol in particular, are the predominant components of the
plasma membrane, wherein multidrug efflux transporters of the ATP-binding cassette (ABC) …
plasma membrane, wherein multidrug efflux transporters of the ATP-binding cassette (ABC) …
Pitfalls of the Martini model
The computational and conceptual simplifications realized by coarse-grain (CG) models
make them a ubiquitous tool in the current computational modeling landscape. Building …
make them a ubiquitous tool in the current computational modeling landscape. Building …
Trophic transfer of nanoplastics and di (2-ethylhexyl) phthalate in a freshwater food chain (Chlorella pyrenoidosa-Daphnia magna-Micropterus salmoides) induced …
Abstract Nanoplastics and di (2-ethylhexyl) phthalate (DEHP) are ubiquitous emerging
contaminants that are transferred among organisms through food chain in the ecosystem …
contaminants that are transferred among organisms through food chain in the ecosystem …
Lipid–protein interactions in plasma membrane organization and function
Lipid–protein interactions in cells are involved in various biological processes, including
metabolism, trafficking, signaling, host–pathogen interactions, and transmembrane …
metabolism, trafficking, signaling, host–pathogen interactions, and transmembrane …
The lens epithelium as a major determinant in the development, maintenance, and regeneration of the crystalline lens
Z Liu, S Huang, Y Zheng, T Zhou, L Hu, L Xiong… - Progress in retinal and …, 2023 - Elsevier
The crystalline lens is a transparent and refractive biconvex structure formed by lens
epithelial cells (LECs) and lens fibers. Lens opacity, also known as cataracts, is the leading …
epithelial cells (LECs) and lens fibers. Lens opacity, also known as cataracts, is the leading …
A DNA molecular robot that autonomously walks on the cell membrane to drive cell motility
H Li, J Gao, L Cao, X Xie, J Fan, H Wang… - Angewandte …, 2021 - Wiley Online Library
Synthetic molecular robots can execute sophisticated molecular tasks at nanometer
resolution. However, a molecular robot capable of controlling cellular behavior remains …
resolution. However, a molecular robot capable of controlling cellular behavior remains …
[HTML][HTML] Backmapping triangulated surfaces to coarse-grained membrane models
Many biological processes involve large-scale changes in membrane shape. Computer
simulations of these processes are challenging since they occur across a wide range of …
simulations of these processes are challenging since they occur across a wide range of …