Sticky Business: Correlating Oligomeric Features of Class B Scavenger Receptors to Lipid Transport
EA Tillison, D Sahoo - Current Atherosclerosis Reports, 2024 - Springer
This review highlights two emerging hypotheses regarding the function of scavenger
receptor oligomerization. The first is a hydrophobic channel created by self-association of …
receptor oligomerization. The first is a hydrophobic channel created by self-association of …
Diffusion and Viscosity in Mixed Protein Solutions
The viscosity and diffusion properties of crowded protein systems were investigated with
molecular dynamics simulations of SH3 mixtures with different crowders, and results were …
molecular dynamics simulations of SH3 mixtures with different crowders, and results were …
BhrPETase catalyzed polyethylene terephthalate depolymerization: A quantum mechanics/molecular mechanics approach
N Wang, Y Li, M Zheng, W Dong, Q Zhang… - Journal of Hazardous …, 2024 - Elsevier
Polyethylene terephthalate (PET) is a widely used material in our daily life, particularly in
areas such as packaging, fibers, and engineering plastics. However, PET waste can …
areas such as packaging, fibers, and engineering plastics. However, PET waste can …
GRACE: Generative Redesign in Artificial Computational Enzymology
Designing de novo enzymes is complex and challenging, especially to maintain the activity.
This research focused on motif design to identify the crucial domain in the enzyme and …
This research focused on motif design to identify the crucial domain in the enzyme and …
BEMM-GEN: A Toolkit for Generating a Biomolecular Environment-Mimicking Model for Molecular Dynamics Simulation
Understanding the influence of the cellular environment on protein conformations is crucial
for elucidating protein functions within living cells. In studies using molecular dynamics (MD) …
for elucidating protein functions within living cells. In studies using molecular dynamics (MD) …
All-Atom Membrane Builder via Multiscale Simulation
S Kim - Journal of Chemical Information and Modeling, 2024 - ACS Publications
I present an automated and flexible tool designed for constructing bilayer membranes at all-
atom (AA) resolution. The builder initiates the construction and equilibration of bilayer …
atom (AA) resolution. The builder initiates the construction and equilibration of bilayer …
Exploring Latent Space for Generating Peptide Analogs Using Protein Language Models
Generating peptides with desired properties is crucial for drug discovery and biotechnology.
Traditional sequence-based and structure-based methods often require extensive datasets …
Traditional sequence-based and structure-based methods often require extensive datasets …