George A. Pantelopulos

I am a post-doctoral scholar working under the supervision of Robert Best and the Laboratory of Chemical Physics at NIH/NIDDK.

I recently completed my PhD with John E. Straub of the Boston University Chemistry Department. My new focus is on modeling of collagen and the extracellular matrix with atomistic accuracy with a focus toward reproduction of multiscale mechanics. This website is used to occasionally catalogue write-ups on theory, analysis, and software for sharing with colleagues.

An Introduction to Bilayer Phases, Cholesterol, Amyloid Precursor Protein, and their Relation

less than 1 minute read

Introduction to Lo phases, cholesterol induction of Lo phase and modulating APP-C99, and the role of Lo phase and subcellular compartments in Aβ generation.

CellCompartments
Figure: A cartoon of the intracellular portion of the Amyloid cascade, discussed in part in my PhD Thesis.

I graduated from Boston University a few months ago. My thesis entitled “Lipid Bilayer Phase Separation, Cholesterol, and Their Effect on the Amyloid Precursor Protein C99” mostly consists of our previously published work.

The lengthy introduction provides a very helpful introduction to the liquid ordered (Lo) phase transition, the role of cholesterol in inducting the Lo phase, the role of cholesterol in modulating processing and structure of C99, and the overall potential role of lipid phase separation and protein trafficking in the genesis of Amyloid beta. I’ve realized it is difficult for theses to pop up in searches, so I’ve posted my dissertation here in hopes that others can access this introduction in particular.

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MolPainter and MolSolvator

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Tools for building and solvating complex, planar molecular systems of arbitrary molecular composition and placement via painting.

OpenMM Tutorial

less than 1 minute read

I post the slides and tutorial scripts for an introductory OpenMM tutorial intended to showcase OpenMM’s features (and, by necessity, complexity).