Toward dynamic structural biology: Two decades of single-molecule Förster resonance energy transfer

E Lerner, T Cordes, A Ingargiola, Y Alhadid, SY Chung… - Science, 2018 - science.org
BACKGROUND Biomolecular mechanisms are typically inferred from static structural
“snapshots” obtained by x-ray crystallography, nuclear magnetic resonance (NMR) …

Rationally engineered nucleic acid architectures for biosensing applications

M Xiao, W Lai, T Man, B Chang, L Li… - Chemical …, 2019 - ACS Publications
Development of biosensing platforms plays a key role in research settings for identification
of biomarkers and in clinical applications for diagnostics. Biosensors based on nucleic acids …

Quantitative mass imaging of single biological macromolecules

G Young, N Hundt, D Cole, A Fineberg, J Andrecka… - Science, 2018 - science.org
The cellular processes underpinning life are orchestrated by proteins and their interactions.
The associated structural and dynamic heterogeneity, despite being key to function, poses a …

Single-molecule plasmon sensing: current status and future prospects

AB Taylor, P Zijlstra - ACS sensors, 2017 - ACS Publications
Single-molecule detection has long relied on fluorescent labeling with high quantum-yield
fluorophores. Plasmon-enhanced detection circumvents the need for labeling by allowing …

Self-interaction of NPM1 modulates multiple mechanisms of liquid–liquid phase separation

DM Mitrea, JA Cika, CB Stanley, A Nourse… - Nature …, 2018 - nature.com
Nucleophosmin (NPM1) is an abundant, oligomeric protein in the granular component of the
nucleolus with roles in ribosome biogenesis. Pentameric NPM1 undergoes liquid–liquid …

Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles

RB Best, X Zhu, J Shim, PEM Lopes… - Journal of chemical …, 2012 - ACS Publications
While the quality of the current CHARMM22/CMAP additive force field for proteins has been
demonstrated in a large number of applications, limitations in the model with respect to the …

Balanced protein–water interactions improve properties of disordered proteins and non-specific protein association

RB Best, W Zheng, J Mittal - Journal of chemical theory and …, 2014 - ACS Publications
Some frequently encountered deficiencies in all-atom molecular simulations, such as
nonspecific protein–protein interactions being too strong, and unfolded or disordered states …

Protein ensembles: how does nature harness thermodynamic fluctuations for life? The diverse functional roles of conformational ensembles in the cell

G Wei, W Xi, R Nussinov, B Ma - Chemical reviews, 2016 - ACS Publications
All soluble proteins populate conformational ensembles that together constitute the native
state. Their fluctuations in water are intrinsic thermodynamic phenomena, and the …

Non-Markovian modeling of protein folding

C Ayaz, L Tepper, FN Brünig… - Proceedings of the …, 2021 - National Acad Sciences
We extract the folding free energy landscape and the time-dependent friction function, the
two ingredients of the generalized Langevin equation (GLE), from explicit-water molecular …

Nanopore-based measurements of protein size, fluctuations, and conformational changes

P Waduge, R Hu, P Bandarkar, H Yamazaki… - ACS …, 2017 - ACS Publications
Proteins are structurally dynamic macromolecules, and it is challenging to quantify the
conformational properties of their native state in solution. Nanopores can be efficient tools to …