2020 Virtual AIChE Annual Meeting

Session: Thermodynamics of Biomolecular Folding and Assembly

Chair

Shukla, D., Massachusetts Institute of Technology

Co-Chair

Zerze, G., Princeton University

Presentations

08:00 AM

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

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
Wilkerson, J. W., Smith, A. K., Wilding, K. M., Bundy, B., Knotts, T. A. IV

08:30 AM

(723d) Mesoscopic Liquid Clusters Represent Host the Nucleation of p53 Fibrils
Yang, D., Fathi, M., Varadarajan, N., Saeedi, A., Safari, M., Davtyan, A., Klindziuk, A., Kolomeisky, A., Vekilov, P.

08:45 AM

(723e) Understanding Molecular Machinery of Life: A Study of Histone Protein Dynamics
Piston, K., Nangia, S.

09:00 AM

(723f) Aggregation of Amylin in the Presence of EGCG Using Coarse-Grained Simulations
Dong, X., Hall, C.

09:15 AM

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

09:30 AM

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

09:45 AM

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