Automated model building and protein identification in cryo-EM maps

K Jamali, L Käll, R Zhang, A Brown, D Kimanius… - Nature, 2024 - nature.com
Interpreting electron cryo-microscopy (cryo-EM) maps with atomic models requires high
levels of expertise and labour-intensive manual intervention in three-dimensional computer …

[HTML][HTML] Single particle cryo-EM map and model validation: It's not crystal clear

GC Lander - Current Opinion in Structural Biology, 2024 - Elsevier
Highlights•Single particle cryo-EM structure validation is an area of much-needed
development, and has seen significant recent advances.•The reported resolution of a single …

Integrating model simulation tools and cryo‐electron microscopy

JG Beton, T Cragnolini, M Kaleel… - Wiley …, 2023 - Wiley Online Library
The power of computer simulations, including machine‐learning, has become an
inseparable part of scientific analysis of biological data. This has significantly impacted the …

Residue-level error detection in cryoelectron microscopy models

G Reggiano, W Lugmayr, D Farrell, TC Marlovits… - Structure, 2023 - cell.com
Building accurate protein models into moderate resolution (3–5 Å) cryoelectron microscopy
(cryo-EM) maps is challenging and error prone. We have developed MEDIC (Model Error …

What do we know about the function of SARS-CoV-2 proteins?

S Justo Arevalo, A Castillo-Chávez… - Frontiers in …, 2023 - frontiersin.org
The COVID-19 pandemic has highlighted the importance in the understanding of the biology
of SARS-CoV-2. After more than two years since the first report of COVID-19, it remains …

Virion morphology and on-virus spike protein structures of diverse SARS-CoV-2 variants

Z Ke, TP Peacock, JC Brown, CM Sheppard… - The EMBO …, 2024 - embopress.org
The evolution of SARS-CoV-2 variants with increased fitness has been accompanied by
structural changes in the spike (S) proteins, which are the major target for the adaptive …

The impact of AlphaFold2 on experimental structure solution

M Edich, DC Briggs, O Kippes, Y Gao, A Thorn - Faraday Discussions, 2022 - pubs.rsc.org
AlphaFold2 is a machine-learning based program that predicts a protein structure based on
the amino acid sequence. In this article, we report on the current usages of this new tool and …

[PDF][PDF] Errors in structural biology are not the exception

Y Gao, V Thorn, A Thorn - Acta Crystallographica Section D …, 2023 - journals.iucr.org
During the COVID-19 pandemic, the structural biology community swung into action quickly
and efficiently, and many urgent questions were solved by macromolecular structure …

Improving SARS-CoV-2 structures: Peer review by early coordinate release

TI Croll, CJ Williams, VB Chen, DC Richardson… - Biophysical journal, 2021 - cell.com
This work builds upon the record-breaking speed and generous immediate release of new
experimental three-dimensional structures of the severe acute respiratory syndrome …

[HTML][HTML] Predicted pH-dependent stability of SARS-CoV-2 spike protein trimer from interfacial acidic groups

VR Lobo, J Warwicker - Computational and structural biotechnology journal, 2021 - Elsevier
Transition between receptor binding domain (RBD) up and down forms of the SARS-CoV-2
spike protein trimer is coupled to receptor binding and is one route by which variants can …