Computational biophysics meets cryo‐EM revolution in the search for the functional dynamics of biomolecular systems

MGS Costa, M Gur, JM Krieger… - Wiley Interdisciplinary …, 2024 - Wiley Online Library
There is a variety of experimental and computational techniques available to explore protein
dynamics, each presenting advantages and limitations. One promising experimental …

Structural dynamics of human ribosomes in situ reconstructed by exhaustive high-resolution template matching

JP Rickgauer, H Choi, AS Moore, W Denk… - Molecular Cell, 2024 - cell.com
Protein synthesis is central to life and requires the ribosome, which catalyzes the stepwise
addition of amino acids to a polypeptide chain by undergoing a sequence of structural …

3D animation as a tool for integrative modeling of dynamic molecular mechanisms

M Riggi, RM Torrez, JH Iwasa - Structure, 2024 - cell.com
As the scientific community accumulates diverse data describing how molecular
mechanisms occur, creating and sharing visual models that integrate the richness of this …

[HTML][HTML] Imaging structurally dynamic ribosomes with cryogenic electron microscopy

SM Webster, MB May, BM Powell, JH Davis - ArXiv, 2023 - ncbi.nlm.nih.gov
Throughout the history of electron microscopy, ribosomes have served as an ideal subject
for imaging and technological development, which in turn has driven our understanding of …

MDSPACE and MDTOMO Software for Extracting Continuous Conformational Landscapes from Datasets of Single Particle Images and Subtomograms Based on …

R Vuillemot, M Harastani, I Hamitouche… - International Journal of …, 2023 - mdpi.com
Cryo electron microscopy (cryo-EM) instrumentation allows obtaining 3D reconstruction of
the structure of biomolecular complexes in vitro (purified complexes studied by single …

Predictive identification and design of potent inhibitors targeting resistance-inducing candidate genes from E. coli whole-genome sequences

AT Aborode, N Kumar, CB Olowosoke… - Frontiers in …, 2024 - frontiersin.org
Introduction: This work utilizes predictive modeling in drug discovery to unravel potential
candidate genes from Escherichia coli that are implicated in antimicrobial resistance; we …

Experimental and Computational Insights into Gangronema latifolium Leaf Compounds as GLP-1 Receptor Agonists

IA Duru, UE Enenebeaku, LC Ngozi-Olehi, CE Enyoh… - Chemistry Africa, 2024 - Springer
Abstract The International Diabetes Federation reported that in 2021, 6.7 million deaths
globally were linked to diabetes. Ethnomedicinal and scientific reports abound on using the …

AFMfit: Deciphering conformational dynamics in AFM data using fast nonlinear NMA and FFT-based search

R Vuillemot, JL Pellequer, S Grudinin - bioRxiv, 2024 - biorxiv.org
Atomic Force Microscopy (AFM) offers a unique opportunity to study the conformational
dynamics of proteins in near-physiological conditions at the single-molecule level. However …

23 Imaging Structurally Dynamic

JH Davis - Cryo-Electron Microscopy in Structural Biology: From …, 2024 - books.google.com
A HISTORY INTERTWINED and refinement of cryo-EM density maps, it also provides an
opportunity to see the full range of structural states populated in a sample. With the advent of …

Molecular dynamics simulation based image analysis methods for structural studies of biological macromolecular complexesolecular complexes

R Vuillemot - 2023 - theses.hal.science
Cryo-Electron Microscopy (cryo-EM) allows conformational studies of macromolecular
complexes in their close-to-native state, essential for understanding their working …