Cholesterol in Class C GPCRs: Role, relevance, and localization

UH Isu, SA Badiee, E Khodadadi, M Moradi - Membranes, 2023 - mdpi.com
G-protein coupled receptors (GPCRs), one of the largest superfamilies of cell-surface
receptors, are heptahelical integral membrane proteins that play critical roles in virtually …

Elucidating the molecular basis of spontaneous activation in an engineered mechanosensitive channel

K Immadisetty, A Polasa, R Shelton… - Computational and …, 2022 - Elsevier
Mechanosensitive channel of large conductance (MscL) detects and responds to changes in
the pressure profile of cellular membranes and transduces the mechanical energy into …

Conformational transition pathways in major facilitator superfamily transporters

D Ogden, K Immadisetty, S Sauve, M Moradi - bioRxiv, 2019 - biorxiv.org
The major facilitator superfamily (MFS) of transporters contains three classes of membrane
transporters: symporters, uniporters, and antiporters. Despite utilizing a variety of transport …

Modulation of P2X4 pore closure by magnesium, potassium, and ATP

K Immadisetty, J Alencicks, P Kekenes-Huskey - bioRxiv, 2021 - biorxiv.org
The P2X4 receptor plays a prominent role in cellular responses to extracellular ATP.
Through classical all-atom molecular dynamics (MD) simulations totaling 24 µ s we have …

[HTML][HTML] BINDINSILICO: Physics-Based Binding Affinity Estimator

NSFIC Team, D Ogden - bslgroup.hosted.uark.edu
The broader impact/commercial potential of this I-Corps project is the development of a
computational tool to make drug design and development more accurate and less time …