An unlocking/relocking barrier in conformational fluctuations of villin headpiece subdomain

A Reiner, P Henklein, T Kiefhaber - … of the National Academy of Sciences, 2010 - pnas.org
A reversible structural unlocking reaction, in which the close-packed van der Waals
interactions break cooperatively, has been found for the villin headpiece subdomain (HP35) …

Quantitative comparison of villin headpiece subdomain simulations and triplet–triplet energy transfer experiments

KA Beauchamp, DL Ensign, R Das… - Proceedings of the …, 2011 - pnas.org
As the fastest folding protein, the villin headpiece (HP35) serves as an important bridge
between simulation and experimental studies of protein folding. Despite the simplicity of this …

Slow motions in the hydrophobic core of chicken villin headpiece subdomain and their contributions to configurational entropy and heat capacity from solid-state …

L Vugmeyster, D Ostrovsky, A Khad**ova, J Ellden… - Biochemistry, 2011 - ACS Publications
We have investigated microsecond to millisecond time scale dynamics in several key
hydrophobic core methyl groups of chicken villin headpiece subdomain protein (HP36) …

Probing the dynamics of a protein hydrophobic core by deuteron solid-state nuclear magnetic resonance spectroscopy

L Vugmeyster, D Ostrovsky, JJ Ford… - Journal of the …, 2009 - ACS Publications
With the goal of investigating dynamical features of hydrophobic cores of proteins over a
wide range of temperatures, the chicken villin headpiece subdomain protein (HP36) was …

Glassy dynamics of protein methyl groups revealed by deuteron NMR

L Vugmeyster, D Ostrovsky, K Penland… - The Journal of …, 2013 - ACS Publications
We investigated site-specific dynamics of key methyl groups in the hydrophobic core of
chicken villin headpiece subdomain (HP36) over the temperature range between 298 and …

Direct investigation of slow correlated dynamics in proteins via dipolar interactions

RB Fenwick, CD Schwieters… - Journal of the American …, 2016 - ACS Publications
The synchronization of native state motions as they transition between microstates
influences catalysis kinetics, mediates allosteric interactions, and reduces the …

Recent Developments in 15N NMR Relaxation Studies that Probe Protein Backbone Dynamics

R Ishima - NMR of Proteins and Small Biomolecules, 2012 - Springer
Abstract Abstract Nuclear Magnetic Resonance (NMR) relaxation is a powerful technique
that provides information about internal dynamics associated with configurational energetics …

Characterizing a partially ordered miniprotein through folding molecular dynamics simulations: comparison with the experimental data

AS Baltzis, NM Glykos - Protein Science, 2016 - Wiley Online Library
The villin headpiece helical subdomain (HP36) is one of the best known model systems for
computational studies of fast‐folding all‐α miniproteins. HP21 is a peptide fragment …

Using Cross‐Correlated Spin Relaxation to Characterize Backbone Dihedral Angle Distributions of Flexible Protein Segments

C Kauffmann, A Zawadzka‐Kazimierczuk… - …, 2021 - Wiley Online Library
Crucial to the function of proteins is their existence as conformational ensembles sampling
numerous and structurally diverse substates. Despite this widely accepted notion there is …

Temperature Dependence of 1HN1HN Distances in Ubiquitin As Studied by Exact Measurements of NOEs

D Leitz, B Vögeli, J Greenwald… - The Journal of Physical …, 2011 - ACS Publications
Although NMR relaxation phenomena provide a great deal of insight into local molecular
dynamics, the dynamic picture of biomacromolecules is still largely incomplete, as no …