2022 Annual Meeting

Session: Thermodynamics of Biomolecular Folding and Assembly

Chair

Gul H. Zerze, Princeton University

Co-Chair

Diwakar Shukla, University of Illinois At Urbana-Champaign

Presentations

12:30 PM

(712a) Critical Evaluation of Implicit Solvent Hydration Free Energies from EEF1, Absinth, and GB/SA Versus Explicit Solvent Molecular-QCT Calculations
Rohan Adhikari Sridhar, Arjun Valiya Parambathu, Dilip Asthagiri, Walter Chapman

12:45 PM

(712b) Physics-Based Modeling of Chromosomal Organization Impacted By Multiple Epigenetic Factors
Joseph Wakim, Sedona Murphy, Alistair Boettiger, Andrew Spakowitz

01:00 PM

(712d) Protein-Polyelectrolyte Assembly: Influence on Structural Stability
Kevin Moses, Paul Van Tassel

01:15 PM

(712e) Simulating Self-Assembly of Key Fragments on the ?-Synuclein N-Terminal Using Discontinuous Molecular Dynamics Simulations
Van Nguyen, Carol Hall, Sheena E. Radford, David Brockwell, Sabine Ulamec

01:30 PM

(712f) How Does Foldamer Side Chain Entropy Affect Folding Cooperativity?
Christopher Walker, Theodore Fobe, Michael Shirts, Sarah Mellett

01:45 PM

(712g) The Transition State for the Growth of the Three-Fold Polymorph of Amyloid-? Fibrils Is Supported By Native Contacts
Peter Vekilov, Sima Mafimoghaddam, Yuechuan Xu, Ted Kim

02:00 PM

(712h) Identifying Key Interactions in Amylin Self-Assembly Via Discontinuous Molecular Dynamics
Carol Hall, Xin Dong

02:15 PM

(712i) String Method Based Free Energy Calculations Reveal the Role of Membrane Cholesterol in Bacterial Toxin Activity
Avijeet Kulshrestha, Sudeep Punnathanam, K. G. Ayappa

02:30 PM

(712j) Graph Network Analysis of Protein-Osmolyte Preferential Interactions
M. Hamsa Priya