[HTML][HTML] Conformational entropy in molecular recognition of intrinsically disordered proteins

K Skriver, FF Theisen, BB Kragelund - Current Opinion in Structural Biology, 2023 - Elsevier
Broad conformational ensembles make intrinsically disordered proteins or regions
entropically intriguing. Although methodologically challenging and understudied, emerging …

Accuracy and Reproducibility of Lipari-Szabo Order Parameters From Molecular Dynamics

TT Lai, CL Brooks III - The Journal of Physical Chemistry B, 2024 - ACS Publications
The Lipari-Szabo generalized order parameter probes the picosecond to nanosecond time
scale motions of a protein and is useful for rationalizing a multitude of biological processes …

[HTML][HTML] Deep mining of the protein energy landscape

AJ Wand - Structural Dynamics, 2023 - pubs.aip.org
For over half a century, it has been known that protein molecules naturally undergo
extensive structural fluctuations, and that these internal motions are intimately related to their …

Understanding the physical determinants of pressure denaturation: Temperature switches the pressure-induced unfolding pathway

C Roumestand, E Foldeners Dudas, R Puglisi, A Calio… - bioRxiv, 2024 - biorxiv.org
Proteins unfold under different environmental insults, among which heat, cold, high pressure
and chaotropic agents. Understanding the mechanisms that determine unfolding under each …

Making sense of chaos: uncovering the mechanisms of conformational entropy

S Wankowicz, J Fraser - 2023 - chemrxiv.org
By converting a disordered polymer into a globular structure, protein folding reduces many
conformational degrees of freedom, resulting in a significant conformational entropy penalty …

Deep mining of the protein energy landscape

AJ Wanda - europepmc.org
For over half a century, it has been known that protein molecules naturally undergo
extensive structural fluctuations, and that these internal motions are intimately related to their …