Insights from coarse-grained Gō models for protein folding and dynamics
Exploring the landscape of large scale conformational changes such as protein folding at
atomistic detail poses a considerable computational challenge. Coarse-grained …
atomistic detail poses a considerable computational challenge. Coarse-grained …
Improvements in Markov state model construction reveal many non-native interactions in the folding of NTL9
Markov State Models (MSMs) provide an automated framework to investigate the dynamical
properties of high-dimensional molecular simulations. These models can provide a human …
properties of high-dimensional molecular simulations. These models can provide a human …
[PDF][PDF] The folding of single domain proteins-have we reached a consensus?
TR Sosnick - Biophysical Journal, 2011 - cell.com
The University of North Carolina at Chapel Hill, Chapel Hill, NC, USA. This talk will provide
an overview of new approaches to study and manipulate signaling in living cells and …
an overview of new approaches to study and manipulate signaling in living cells and …
Nonnative electrostatic interactions can modulate protein folding: molecular dynamics with a grain of salt
A Azia, Y Levy - Journal of molecular biology, 2009 - Elsevier
In recent years, a growing number of protein folding studies have focused on the unfolded
state, which is now recognized as playing a major role in the folding process. Some of these …
state, which is now recognized as playing a major role in the folding process. Some of these …
Cotranslational folding allows misfolding-prone proteins to circumvent deep kinetic traps
Many large proteins suffer from slow or inefficient folding in vitro. It has long been known that
this problem can be alleviated in vivo if proteins start folding cotranslationally. However, the …
this problem can be alleviated in vivo if proteins start folding cotranslationally. However, the …
Evidence for the principle of minimal frustration in the evolution of protein folding landscapes
FO Tzul, D Vasilchuk… - Proceedings of the …, 2017 - National Acad Sciences
Theoretical and experimental studies have firmly established that protein folding can be
described by a funneled energy landscape. This funneled energy landscape is the result of …
described by a funneled energy landscape. This funneled energy landscape is the result of …
Understanding the molecular basis of folding cooperativity through a comparative analysis of a multidomain protein and its isolated domains
D Santorelli, L Marcocci, V Pennacchietti… - Journal of Biological …, 2023 - ASBMB
Although cooperativity is a well-established and general property of folding, our current
understanding of this feature in multidomain folding is still relatively limited. In fact, there are …
understanding of this feature in multidomain folding is still relatively limited. In fact, there are …
Topology‐based modeling of intrinsically disordered proteins: balancing intrinsic folding and intermolecular interactions
Coupled binding and folding is frequently involved in specific recognition of so‐called
intrinsically disordered proteins (IDPs), a newly recognized class of proteins that rely on a …
intrinsically disordered proteins (IDPs), a newly recognized class of proteins that rely on a …
Multi-scaled explorations of binding-induced folding of intrinsically disordered protein inhibitor IA3 to its target enzyme
Biomolecular function is realized by recognition, and increasing evidence shows that
recognition is determined not only by structure but also by flexibility and dynamics. We …
recognition is determined not only by structure but also by flexibility and dynamics. We …
Topological constraints: using RNA secondary structure to model 3D conformation, folding pathways, and dynamic adaptation
Accompanying recent advances in determining RNA secondary structure is the growing
appreciation for the importance of relatively simple topological constraints, encoded at the …
appreciation for the importance of relatively simple topological constraints, encoded at the …