Probing microscopic conformational dynamics in folding reactions by measuring transition paths

NQ Hoffer, MT Woodside - Current Opinion in Chemical Biology, 2019 - Elsevier
Transition paths comprise those parts of a folding trajectory where the molecule passes
through the high-energy transition states separating folded and unfolded conformations. The …

Lessons about protein folding and binding from archetypal folds

LA Campos, M Sadqi, V Munoz - Accounts of Chemical Research, 2020 - ACS Publications
Conspectus The function of proteins as biological nanomachines relies on their ability to fold
into complex 3D structures, bind selectively to partners, and undergo conformational …

Robust membrane protein tweezers reveal the folding speed limit of helical membrane proteins

S Kim, D Lee, WCB Wijesinghe, D Min - Elife, 2023 - elifesciences.org
Single-molecule tweezers, such as magnetic tweezers, are powerful tools for probing nm-
scale structural changes in single membrane proteins under force. However, the weak …

Direct observation of single-protein transition state passage by nanopore ionic current jumps

P Tripathi, A Firouzbakht, M Gruebele… - The Journal of …, 2022 - ACS Publications
Conformational transitions of proteins are governed by chemical kinetics, often toggled by
passage through an activated state separating two conformational ensembles. The passage …

Hydrogen bonding heterogeneity correlates with protein folding transition state passage time as revealed by data sonification

C Scaletti, PPS Russell, KJ Hebel… - Proceedings of the …, 2024 - National Acad Sciences
Protein–protein and protein–water hydrogen bonding interactions play essential roles in the
way a protein passes through the transition state during folding or unfolding, but the large …

Topological bio-scaling analysis as a universal measure of protein folding

S Shityakov, EV Skorb… - Royal Society Open …, 2022 - royalsocietypublishing.org
Scaling relationships for polymeric molecules establish power law dependencies between
the number of molecular segments and linear dimensions, such as the radius of gyration …

[HTML][HTML] Phage display identification of nanomolar ligands for human NEDD4-WW3: Energetic and dynamic implications for the development of broad-spectrum …

F Castillo, C Corbi-Verge, J Murciano-Calles… - International Journal of …, 2022 - Elsevier
The recognition of PPxY viral Late domains by the third WW domain of the human HECT-E3
ubiquitin ligase NEDD4 (NEDD4-WW3) is essential for the budding of many viruses …

Investigating the trade-off between folding and function in a multidomain Y-family DNA polymerase

X Chu, Z Suo, J Wang - Elife, 2020 - elifesciences.org
The way in which multidomain proteins fold has been a puzzling question for decades. Until
now, the mechanisms and functions of domain interactions involved in multidomain protein …

Rational design of protein-specific folding modifiers

A Das, A Yadav, M Gupta, VL Terse… - Journal of the …, 2021 - ACS Publications
Protein-folding can go wrong in vivo and in vitro, with significant consequences for the living
organism and the pharmaceutical industry, respectively. Here we propose a design principle …

Protein folding dynamics as diffusion on a free energy surface: rate equation terms, transition paths, and analysis of single-molecule photon trajectories

N Mothi, V Muñoz - The Journal of Physical Chemistry B, 2021 - ACS Publications
The rates of protein (un) folding are often described as diffusion on the projection of a
hyperdimensional energy landscape onto a few (ideally one) order parameters. Testing …