Conveners
(DPMB/DCMMP) W1-3 Simulate, Illuminate, Interact: Unraveling Molecular Dynamics Across Scales | Simuler, éclairer, interagir : comprendre la dynamique moléculaire à travers les échelles (DPMB/DPMCM)
- Greg van Anders (Queen's University)
- Maria Kilfoil (University of Prince Edward Island / Physics)
Description
Soft Condensed Matter and Biological Physics (DPMB/DCMMP) – This symposium will highlight major foci for researchers at the interface between soft matter and biological physics. Topics will include biopolymers in confined environments, super-biomolecular assemblies, active soft matter, energy fluxes, budgets, and constraints in cells. Join us later at a networking gathering to discuss the exciting developments from the day’s presentations.
Developing physics-based models for molecular simulation requires fitting many unknown parameters to experimental datasets of diverse properties. Model development typically proceeds according to the trial-and-error tinkering of individual researchers, and the procedures by which parameters are chosen are often opaque and irreproducible. This erects significant barriers to extending and...
In the nucleus, essential biological processes rely on proteins diffusing through and interacting with a complex network of nucleic acid polymers. To better understand this dynamic interplay requires an advanced imaging platform that simultaneously tracks single-molecule dynamics and the local chromatin environment in live cells. In this talk, I will present our work that combines...
We carry out molecular dynamics simulations of peptides confined within aqueous nanodroplets and investigate the influence of the temperature-dependent properties of the nanodroplets on peptide folding, localization within the nanodroplet, and secondary structure. Recent computational studies from our group have revealed the emergence of thermodynamic and structural anomalies in liquid water...
Particles and discrete objects on the scale of nanometres to micrometres, such as colloids, DNA bricks, proteins, transistors, etc, may be used as building blocks for new materials, with a variety of applications in optics, drug delivery, energy harvesting, and nanorobotics. A goal for theory and simulation is to build algorithms and design principles to find the building blocks that assemble...
