Coarse-grained protein models and their applications
The traditional computational modeling of protein structure, dynamics, and interactions
remains difficult for many protein systems. It is mostly due to the size of protein …
remains difficult for many protein systems. It is mostly due to the size of protein …
Role of intrinsic protein disorder in the function and interactions of the transcriptional coactivators CREB-binding protein (CBP) and p300
HJ Dyson, PE Wright - Journal of Biological Chemistry, 2016 - ASBMB
The transcriptional coactivators CREB-binding protein (CBP) and p300 undergo a
particularly rich set of interactions with disordered and partly ordered partners, as a part of …
particularly rich set of interactions with disordered and partly ordered partners, as a part of …
Toward accurate simulation of coupling between protein secondary structure and phase separation
Intrinsically disordered proteins (IDPs) frequently mediate phase separation that underlies
the formation of a biomolecular condensate. Together with theory and experiment, efficient …
the formation of a biomolecular condensate. Together with theory and experiment, efficient …
Folding free energy landscape of ordered and intrinsically disordered proteins
Folding funnel is the essential concept of the free energy landscape for ordered proteins.
How does this concept apply to intrinsically disordered proteins (IDPs)? Here, we address …
How does this concept apply to intrinsically disordered proteins (IDPs)? Here, we address …
Multiscaled exploration of coupled folding and binding of an intrinsically disordered molecular recognition element in measles virus nucleoprotein
Numerous relatively short regions within intrinsically disordered proteins (IDPs) serve as
molecular recognition elements (MoREs). They fold into ordered structures upon binding to …
molecular recognition elements (MoREs). They fold into ordered structures upon binding to …
Electrostatics, structure prediction, and the energy landscapes for protein folding and binding
While being long in range and therefore weakly specific, electrostatic interactions are able to
modulate the stability and folding landscapes of some proteins. The relevance of …
modulate the stability and folding landscapes of some proteins. The relevance of …
Recent advances in computational protocols addressing intrinsically disordered proteins
S Bhattacharya, X Lin - Biomolecules, 2019 - mdpi.com
Intrinsically disordered proteins (IDP) are abundant in the human genome and have recently
emerged as major therapeutic targets for various diseases. Unlike traditional proteins that …
emerged as major therapeutic targets for various diseases. Unlike traditional proteins that …
Molecular dynamics simulations for rationalizing polymer bioconjugation strategies: Challenges, recent developments, and future opportunities
J Kehrein, C Sotriffer - ACS Biomaterials Science & Engineering, 2023 - ACS Publications
The covalent modification of proteins with polymers is a well-established method for
improving the pharmacokinetic properties of therapeutically valuable biologics. The …
improving the pharmacokinetic properties of therapeutically valuable biologics. The …
Kinetic modulation of a disordered protein domain by phosphorylation
Phosphorylation is a major post-translational mechanism of regulation that frequently targets
disordered protein domains, but it remains unclear how phosphorylation modulates …
disordered protein domains, but it remains unclear how phosphorylation modulates …
Electrostatically accelerated encounter and folding for facile recognition of intrinsically disordered proteins
Achieving facile specific recognition is essential for intrinsically disordered proteins (IDPs)
that are involved in cellular signaling and regulation. Consideration of the physical time …
that are involved in cellular signaling and regulation. Consideration of the physical time …