AIMC Topic: Lipid Bilayers
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Machine learning to design integral membrane channelrhodopsins for efficient eukaryotic expression and plasma membrane localization.
PLoS computational biology
Oct 23, 2017
There is growing interest in studying and engineering integral membrane proteins (MPs) that play key roles in sensing and regulating cellular response to diverse external signals. A MP must be expressed, correctly inserted and folded in a lipid bilay...
A Prediction Model for Membrane Proteins Using Moments Based Features.
BioMed research international
Feb 15, 2016
The most expedient unit of the human body is its cell. Encapsulated within the cell are many infinitesimal entities and molecules which are protected by a cell membrane. The proteins that are associated with this lipid based bilayer cell membrane are...
Deep Learning-Assisted Nanocavity Sensor for Amphiphilic Biomarker Analysis.
Analytical chemistry
Jul 1, 2025
Fluorescence enhancement using nanocavity structures is a promising approach for rapid detection of amphiphilic biomarkers, which are essential for diagnosing diseases such as cancer and infections. This paper presents the use of a silver nanocube (A...
Learning transition path and membrane topological signatures in the folding pathway of bacteriorhodopsin (BR) fragment with artificial intelligence.
The Journal of chemical physics
Mar 14, 2025
Membrane protein folding in the viscous microenvironment of a lipid bilayer is an inherently slow process that challenges experiments and computational efforts alike. The folding kinetics is moreover associated with topological modulations of the bio...
Improving the accuracy and convergence of drug permeation simulations via machine-learned collective variables.
The Journal of chemical physics
Jul 28, 2021
Understanding the permeation of biomolecules through cellular membranes is critical for many biotechnological applications, including targeted drug delivery, pathogen detection, and the development of new antibiotics. To this end, computer simulation...
Artificial neural networks for the inverse design of nanoparticles with preferential nano-bio behaviors.
The Journal of chemical physics
Aug 7, 2020
Safe and efficient use of ultrasmall nanoparticles (NPs) in biomedicine requires numerous independent conditions to be met, including colloidal stability, selectivity for proteins and membranes, binding specificity, and low affinity for plasma protei...
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