[HTML][HTML] Implications of short time scale dynamics on long time processes
K El Hage, S Brickel, S Hermelin, G Gaulier… - Structural …, 2017 - pubs.aip.org
This review provides a comprehensive overview of the structural dynamics in topical gas-
and condensed-phase systems on multiple length and time scales. Starting from …
and condensed-phase systems on multiple length and time scales. Starting from …
Dynamics of protein folding: Probing the kinetic network of folding–unfolding transitions with experiment and theory
GS Buchner, RD Murphy, NV Buchete… - Biochimica et Biophysica …, 2011 - Elsevier
The problem of spontaneous folding of amino acid chains into highly organized, biologically
functional three-dimensional protein structures continues to challenge the modern science …
functional three-dimensional protein structures continues to challenge the modern science …
[HTML][HTML] Polarizable and non-polarizable force fields: Protein folding, unfolding, and misfolding
Molecular dynamics simulations are an invaluable tool to characterize the dynamic motions
of proteins in atomistic detail. However, the accuracy of models derived from simulations …
of proteins in atomistic detail. However, the accuracy of models derived from simulations …
[图书][B] Energy landscapes, inherent structures, and condensed-matter phenomena
FH Stillinger - 2015 - books.google.com
This book presents an authoritative and in-depth treatment of potential energy landscape
theory, a powerful analytical approach to describing the atomic and molecular interactions in …
theory, a powerful analytical approach to describing the atomic and molecular interactions in …
Elucidating the Role of Disulfide Bond on Amyloid Formation and Fibril Reversibility of Somatostatin-14: RELEVANCE TO ITS STORAGE AND SECRETION*♦
The storage of protein/peptide hormones within subcellular compartments and subsequent
release are crucial for their native function, and hence these processes are intricately …
release are crucial for their native function, and hence these processes are intricately …
Identifying metastable states of folding proteins
Recent molecular dynamics simulations of biopolymers have shown that in many cases the
global features of the free energy landscape can be characterized in terms of the metastable …
global features of the free energy landscape can be characterized in terms of the metastable …
The two-dimensional vibrational echo of a nitrile probe of the villin HP35 protein
DC Urbanek, DY Vorobyev, AL Serrano… - The journal of …, 2010 - ACS Publications
Two-dimensional (2D) IR spectroscopy was used to probe the hydrophobic core structure of
the 35-residue villin headpiece subdomain, HP35, by monitoring the C N vibrational …
the 35-residue villin headpiece subdomain, HP35, by monitoring the C N vibrational …
A kinetic approach to the sequence–aggregation relationship in disease-related protein assembly
It is generally accepted that oligomers of aggregating proteins play an important role in the
onset of neurodegenerative diseases. While in silico aggregation studies of full length …
onset of neurodegenerative diseases. While in silico aggregation studies of full length …
Design principles for K+ selectivity in membrane transport
Background The simplest idea for K+/Na+ discrimination is just that these ions differ in size.
Because permeation of the K+ ion is preferred over the slightly smaller Na+ ion, the …
Because permeation of the K+ ion is preferred over the slightly smaller Na+ ion, the …
Crystallographic and nuclear magnetic resonance evaluation of the impact of peptide binding to the second PDZ domain of protein tyrosine phosphatase 1E
PDZ (PSD95/Discs large/ZO-1) domains are ubiquitous protein interaction motifs found in
scaffolding proteins involved in signal transduction. Despite the fact that many PDZ domains …
scaffolding proteins involved in signal transduction. Despite the fact that many PDZ domains …