2020 Virtual AIChE Annual Meeting

Session: Thermodynamics of Biomolecular Folding and Assembly

Chair

Diwakar Shukla, Massachusetts Institute of Technology

Co-Chair

Gül Zerze, Princeton University

Presentations

08:00 AM

(723b) The Necessity of Large System Size in Interpreting Solvent Effects on Hydration and Kinetics in Atomistic Simulation
Dilip Asthagiri, Dheeraj Tomar, Walter Chapman

08:15 AM

(723c) Rational Design of Protein Devices: Predicting How Functionalization and Unnatural Amino Acid Mutations Affect Protein Stability Using Molecular Simulation and Experiment
Joshua W. Wilkerson, Addison K. Smith, Kristen M. Wilding, Brad Bundy, Thomas A. Knotts

08:30 AM

(723d) Mesoscopic Liquid Clusters Represent Host the Nucleation of p53 Fibrils
David Yang, Mohsen Fathi, Navin Varadarajan, Arash Saeedi, Mohammad Safari, Aram Davtyan, Alena Klindziuk, Anatoly Kolomeisky, Peter Vekilov

08:45 AM

(723e) Understanding Molecular Machinery of Life: A Study of Histone Protein Dynamics
Kathryn Piston, Shikha Nangia

09:00 AM

(723f) Aggregation of Amylin in the Presence of EGCG Using Coarse-Grained Simulations
Xin Dong, Carol Hall

09:15 AM

(723g) Investigation of N-Terminal Segment Effects on ?-Synuclein Aggregation through Discontinuous Molecular Dynamics
Van Nguyen, Carol Hall

09:30 AM

(723h) Investigation of Low Temperature Protein Folding at Ambient and High Pressure Using Molecular Simulation
Daniel J. Kozuch, Frank H. Stillinger, Pablo Debenedetti

09:45 AM

(723i) Multiscale Coarse-Grained Model of Actin Filaments and Its Predictions of Compressive and Tensile Deformations on Filament Composition
Sriramvignesh Mani, Harshwardhan H. Katkar, Gregory A. Voth