Effects of pH on an IDP conformational ensemble explored by molecular dynamics simulation

RJ Lindsay, RA Mansbach, S Gnanakaran, T Shen - Biophysical chemistry, 2021 - Elsevier
The conformational ensemble of intrinsically disordered proteins, such as α-synuclein, are
responsible for their function and malfunction. Misfolding of α-synuclein can lead to …

Robustness of density of low-frequency states in amorphous solids

P Das, HGE Hentschel, E Lerner, I Procaccia - Physical Review B, 2020 - APS
Low-frequency quasilocalized modes of amorphous glass appear to exhibit universal
density of states, depending on the frequencies as D (ω)∼ ω 4. To date, various models of …

[HTML][HTML] Node features of chromosome structure networks and their connections to genome annotation

Y Xu, P Das, RP McCord, T Shen - Computational and Structural …, 2024 - Elsevier
The 3D conformations of chromosomes can encode biological significance, and the
implications of such structures have been increasingly appreciated recently. Certain …

Novel Covalent Modifier-Induced Local Conformational Changes within the Intrinsically Disordered Region of the Androgen Receptor

MT Harnish, D Lopez, CT Morrison, R Narayanan… - Biology, 2023 - mdpi.com
Simple Summary The androgen receptor (AR) is an important protein involved in sensing
hormones. The over-activation of a class of AR can lead to cellular dysfunction and diseases …

Inferring chromosome radial organization from Hi-C data

P Das, T Shen, RP McCord - BMC bioinformatics, 2020 - Springer
Background The nonrandom radial organization of eukaryotic chromosome territories (CTs)
inside the nucleus plays an important role in nuclear functional compartmentalization …

Statistical Analysis of Protein-Ligand Interaction Patterns in Nuclear Receptor RORγ

B Pham, Z Cheng, D Lopez, RJ Lindsay… - Frontiers in Molecular …, 2022 - frontiersin.org
The receptor RORγ belongs to the nuclear receptor superfamily that senses small signaling
molecules and regulates at the gene transcription level. Since RORγ has a high basal …

MODULATION OF PROTEIN DYNAMICS BY LIGAND BINDING AND SOLVENT COMPOSITION

RJ Lindsay - 2021 - trace.tennessee.edu
Many proteins undergo conformational switching in order to perform their cellular functions.
A multitude of factors may shift the energy landscape and alter protein dynamics with varying …