Sex Differences, Neurosteroids and the Development of Tolerance to Alcohol’s Anxiolytic Effects

Abstract: Close to 90% of individuals 18 years and older in the United States will consume alcohol at some point in their lives. Although 7% of men have alcohol use disorder (AUD) compared to 4% of women, women are more at risk for the negative health and safety effects of alcohol. Therefore, understanding sex differences … Read more

RMS2D Heatmap Edge Detection and K-Means Clustering Analysis to Determine Stable Segments of MD Trajectories

Abstract: Using molecular dynamics (MD) methods, we’ve identified a subsystem of the ribosome termed the CAR interaction surface that we hypothesize regulates translation of mRNA by altering the CAR surface differently depending on the +1 codon. MD simulations of this area of the ribosome can be used to study the behavior of this dynamic system … Read more

Analysis of GPX4 Using Molecular Dynamics Energy Networks

Abstract: Glutathione peroxidase 4 is an enzyme encoded by the human GPX4 gene which protects cells against cell damages related to membrane lipid peroxidation and preserves mitochondrial integrity of forebrain neurons. It opens possibilities of potentially treating Alzheimer’s Disease through elevating the GPX4 protein activity. Even though studies have identified that three kinds of GPX4 … Read more

MD-based Energetic Heat Kernel Analysis: Insights to PDZ Allosterism

Abstract: Allosteric long-range interactions which characterize the conformational and energetic dynamics of many protein systems such as PDZ-domain containing systems proves an important focus in many forms of molecular dynamics (MD) research for understanding the dynamics underlying protein interaction and potential drug delivery pathways. A sector-based analysis identifies a network of residues referred to as … Read more

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Abstract: Sed ut fringilla metus, hendrerit auctor arcu. Curabitur tempor laoreet fermentum. Aenean luctus euismod feugiat. Vivamus scelerisque pharetra eros quis finibus. Vestibulum ante ipsum primis in faucibus orci luctus et ultrices posuere cubilia curae; Nulla at urna nec orci ullamcorper suscipit malesuada ac augue. In vitae posuere sapien. Praesent rutrum nulla quis nibh bibendum … Read more