2021 Annual Meeting

Session: Practical Applications of Computational Chemistry and Molecular Simulation I

Chair

Co-Chairs

Westmoreland, P., North Carolina State University
Browning, A., Schrodinger, Inc.
Arturo, S. G., The Dow Chemical Company

Presentations

08:00 AM

(442a) Simulating the Glass Transition of Steam Cracked Tar
Saathoff, J.

08:20 AM

(442b) Multiscale Modeling and Characterization of Radical-Initiated Modification of Molten Polyolefins
Zou, W., Tupper, A., Rebello, N., Ranasinghe, D., Green, W., Olsen, B., Couch, C.

09:30 AM

(442f) Combating COVID-19 Using High Resolution Computational Protein Docking with Natural Drug Products
Wang, Z., Woldring, D., Belecciu, T., Bachmann, M.

10:00 AM

(442h) The Influence of Glycosylation on the Binding of Sars-Cov-2 Spike
Faller, R., McDonald, K. A., Nandi, S., Shah, P., Harris, B., Huang, Y., Minami, S.

10:15 AM

(442i) Investigation of Finite-Size Effects of Rutile Titanium Dioxide Clusters
Sahoo, S. J., Medford, A., Suryanarayana, P.