A non-equilibrium approach to allosteric communication
While the theory of protein folding is well developed, including concepts such as rugged
energy landscape, folding funnel, etc., the same degree of understanding has not been …
energy landscape, folding funnel, etc., the same degree of understanding has not been …
Equilibrium versus nonequilibrium peptide dynamics: insights into transient 2D IR spectroscopy
DG Hogle, AR Cunningham… - The Journal of Physical …, 2018 - ACS Publications
Over the past two decades, two-dimensional infrared (2D IR) spectroscopy has evolved from
the theoretical underpinnings of nonlinear spectroscopy as a means of investigating detailed …
the theoretical underpinnings of nonlinear spectroscopy as a means of investigating detailed …
[HTML][HTML] Folding free energy landscapes of β-sheets with non-polarizable and polarizable CHARMM force fields
Molecular dynamics (MD) simulations of peptides and proteins offer atomic-level detail into
many biological processes, although the degree of insight depends on the accuracy of the …
many biological processes, although the degree of insight depends on the accuracy of the …
SNARE‐mediated membrane fusion is a two‐stage process driven by entropic forces
ZA McDargh, A Polley, B O'Shaughnessy - FEBS letters, 2018 - Wiley Online Library
SNARE proteins constitute the core of the exocytotic membrane fusion machinery. Fusion
occurs when vesicle‐associated and target membrane‐associated SNARE s zipper into …
occurs when vesicle‐associated and target membrane‐associated SNARE s zipper into …
Accurate protein-folding transition-path statistics from a simple free-energy landscape
WM Jacobs, EI Shakhnovich - The Journal of Physical Chemistry …, 2018 - ACS Publications
A central goal of protein-folding theory is to predict the stochastic dynamics of transition
paths—the rare trajectories that transit between the folded and unfolded ensembles—using …
paths—the rare trajectories that transit between the folded and unfolded ensembles—using …
Helix–coil transition courses through multiple pathways and intermediates: fast kinetic measurements and dimensionality reduction
GS Jas, K Kuczera - The Journal of Physical Chemistry B, 2018 - ACS Publications
Nanosecond laser temperature jumps with tryptophan fluorescence detection and molecular
dynamics simulation with kinetic dimensionality reduction were used to study the helix–coil …
dynamics simulation with kinetic dimensionality reduction were used to study the helix–coil …
[HTML][HTML] The role of conformational entropy in the determination of structural-kinetic relationships for helix-coil transitions
JF Rudzinski, T Bereau - Computation, 2018 - mdpi.com
Coarse-grained molecular simulation models can provide significant insight into the
complex behavior of protein systems, but suffer from an inherently distorted description of …
complex behavior of protein systems, but suffer from an inherently distorted description of …
Structural-kinetic-thermodynamic relationships identified from physics-based molecular simulation models
JF Rudzinski, T Bereau - The Journal of chemical physics, 2018 - pubs.aip.org
Coarse-grained molecular simulation models have provided immense, often general, insight
into the complex behavior of condensed-phase systems but suffer from a lost connection to …
into the complex behavior of condensed-phase systems but suffer from a lost connection to …
Diverse Protein-Folding Pathways and Functions of β-Hairpins and β-Sheets
C Balusek, H Hwang, A Hazel, K Lundquist… - Quantitative Models for …, 2018 - Springer
One of the most common fundamental secondary-structure elements of proteins is the β-
sheet. Folding of β-sheets into various structures, eg, β-hairpins, β-barrels, and amyloids, is …
sheet. Folding of β-sheets into various structures, eg, β-hairpins, β-barrels, and amyloids, is …
[PDF][PDF] Faltung und Entfaltung eines neu entwickelten lichtschaltbaren β-hairpin Modellpeptids und Untersuchung seiner hydrophoben Wechselwirkungen
SM Hofmann - 2018 - edoc.ub.uni-muenchen.de
Proteine sind in allen Zellen von Lebewesen enthalten und führen hier die verschiedensten
Funktionen des Lebens aus. Damit jedes Protein seine spezielle Aufgabe wahrnehmen …
Funktionen des Lebens aus. Damit jedes Protein seine spezielle Aufgabe wahrnehmen …