Biophysical experiments and biomolecular simulations: A perfect match?

S Bottaro, K Lindorff-Larsen - Science, 2018 - science.org
A fundamental challenge in biological research is achieving an atomic-level description and
mechanistic understanding of the function of biomolecules. Techniques for biomolecular …

[HTML][HTML] Principles for integrative structural biology studies

MP Rout, A Sali - Cell, 2019 - cell.com
Integrative structure determination is a powerful approach to modeling the structures of
biological systems based on data produced by multiple experimental and theoretical …

Principles of protein structural ensemble determination

M Bonomi, GT Heller, C Camilloni… - Current opinion in …, 2017 - Elsevier
Highlights•The principles of protein structural ensemble determination are described.•The
use of experimental data averaged over multiple states is analysed.•Approaches for …

[HTML][HTML] A Bayesian view on cryo-EM structure determination

SHW Scheres - Journal of molecular biology, 2012 - Elsevier
Three-dimensional (3D) structure determination by single-particle analysis of cryo-electron
microscopy (cryo-EM) images requires many parameters to be determined from extremely …

Global structure of the intrinsically disordered protein tau emerges from its local structure

LS Stelzl, LM Pietrek, A Holla, J Oroz, M Sikora… - Jacs Au, 2022 - ACS Publications
The paradigmatic disordered protein tau plays an important role in neuronal function and
neurodegenerative diseases. To disentangle the factors controlling the balance between …

[HTML][HTML] CombFold: predicting structures of large protein assemblies using a combinatorial assembly algorithm and AlphaFold2

B Shor, D Schneidman-Duhovny - Nature methods, 2024 - nature.com
Deep learning models, such as AlphaFold2 and RosettaFold, enable high-accuracy protein
structure prediction. However, large protein complexes are still challenging to predict due to …

[HTML][HTML] Outcome of the first electron microscopy validation task force meeting

R Henderson, A Sali, ML Baker, B Carragher… - Structure, 2012 - cell.com
This Meeting Review describes the proceedings and conclusions from the inaugural
meeting of the Electron Microscopy Validation Task Force organized by the Unified Data …

Nuclear overhauser effect

D Neuhaus - eMagRes, 2007 - Wiley Online Library
The nuclear Overhauser effect (NOE) is defined as the change in intensity of one NMR
resonance that occurs when another is saturated. It results from dipole–dipole cross …

[HTML][HTML] Leveraging crosslinking mass spectrometry in structural and cell biology

A Graziadei, J Rappsilber - Structure, 2022 - cell.com
Crosslinking mass spectrometry (crosslinking-MS) is a versatile tool providing structural
insights into protein conformation and protein-protein interactions. Its medium-resolution …

Structure of the human voltage-dependent anion channel

M Bayrhuber, T Meins, M Habeck… - Proceedings of the …, 2008 - National Acad Sciences
The voltage-dependent anion channel (VDAC), also known as mitochondrial porin, is the
most abundant protein in the mitochondrial outer membrane (MOM). VDAC is the channel …