AIMC Topic: Macromolecular Substances

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Mechanics of small intestine motility for oral macromolecular delivery: modelling segmentation versus peristalsis.

Drug delivery
Intestinal motility, including peristalsis and segmentation, drives complex fluid movements critical for the oral delivery of biologics and other macromolecules. Despite advances, oral delivery remains commercially limited by low bioavailability, oft...

Assembly of Macromolecular Complexes in the Whole-Cell Model of a Minimal Cell.

The journal of physical chemistry. B
Macromolecular complexes in the genetically minimized bacterium, JCVI-syn3A, support gene expression (RNA polymerase, ribosome, degradosome), metabolism (ABC transporters, ATP synthase), and chromosome dynamics. In this work, we further incorporate t...

A review of denoising methods in single-particle cryo-EM.

Micron (Oxford, England : 1993)
Cryo-EM has become a vital technique for resolving macromolecular structures at near-atomic resolution, enabling the visualization of proteins and large molecular complexes. However, the images are often accompanied by extremely low SNR, which poses ...

Heligeom: A web resource to generate, analyze, and visualize filament architectures based on pairwise association geometries of biological macromolecules.

Journal of molecular biology
At the subcellular level, macromolecules self-assemble to form molecular machinery in which the assembly modes play critical roles: the structural integrity of cell walls that allows mechanical growth, the maintenance and repair of the genetic materi...

AI-based methods for biomolecular structure modeling for Cryo-EM.

Current opinion in structural biology
Cryo-electron microscopy (Cryo-EM) has revolutionized structural biology by enabling the determination of macromolecular structures that were challenging to study with conventional methods. Processing cryo-EM data involves several computational steps...

Overcoming the preferred-orientation problem in cryo-EM with self-supervised deep learning.

Nature methods
While advances in single-particle cryo-EM have enabled the structural determination of macromolecular complexes at atomic resolution, particle orientation bias (the 'preferred' orientation problem) remains a complication for most specimens. Existing ...

Integrating machine learning with -SAS for enhanced structural analysis in small-angle scattering: applications in biological and artificial macromolecular complexes.

The European physical journal. E, Soft matter
Small-Angle Scattering (SAS), encompassing both X-ray (SAXS) and Neutron (SANS) techniques, is a crucial tool for structural analysis at the nanoscale, particularly in the realm of biological macromolecules. This paper explores the intricacies of SAS...

Magnetic Resonance Spectroscopy Quantification Aided by Deep Estimations of Imperfection Factors and Macromolecular Signal.

IEEE transactions on bio-medical engineering
OBJECTIVE: Magnetic Resonance Spectroscopy (MRS) is an important technique for biomedical detection. However, it is challenging to accurately quantify metabolites with proton MRS due to serious overlaps of metabolite signals, imperfections because of...

Predictive modeling and cryo-EM: A synergistic approach to modeling macromolecular structure.

Biophysical journal
Over the last 15 years, structural biology has seen unprecedented development and improvement in two areas: electron cryo-microscopy (cryo-EM) and predictive modeling. Once relegated to low resolutions, single-particle cryo-EM is now capable of achie...

Bonds and bytes: The odyssey of structural biology.

Current opinion in structural biology
Characterizing structural and dynamic properties of proteins and large macromolecular assemblies is crucial to understand the molecular mechanisms underlying biological functions. In the field of structural biology, no single method comprehensively r...