2021 Annual Meeting

Session: CoMSEF Poster Session - Virtual

Presentations

10:30 AM

(342o) Molecular Dynamics Modeling Based Investigation of Protein Instability during “Non-Isothermal” Freezing Process
Duran, T., Minatovicz, B., Chaudhuri, B.
(588f) Uncertainty Quantification in Transition-Matrix Monte Carlo Simulations
Siderius, D., Hatch, H., Brady-Mine, A., Shen, V. K.
(342c) Comparative Role of Geometric and Chemical Parameters for the Formation of Pair-Wise Nanomolecular Complexes
Cha, M., Turali-Emre, E. S., Xiao, X., Bogdan, P., Van Epps, J. S., Violi, A., Kotov, N.
(656b) Designing a Python Interface for Molecular Dynamics and Monte Carlo Particle Simulations: HOOMD-Blue v3.0
Anderson, J., Butler, B., Glotzer, S.
(342ao) Integrative Modeling of the Smc-5/6 Protein Complex
Yu, Y., Li, S., Ser, Z., Sanyal, T., Wan, B., Sali, A., Kentsis, A., Patel, D. J., Zhao, X.
(342ab) Obtaining the Equilibrium Adsorption Morphologies of Surfactant Molecules at Metal-Water Interfaces through Advanced Molecular Dynamics Simulations
Faeli Qadikolae, A., Sharma, S.
(342ac) Insight in the Glass Transition of the TIP4P/Ice Model
Bechelli, S., Delhommelle, J.
(342ah) Full Atomistic Polymer Structure Generation Using Reverse-Mapping Technique, Application to Poly(methy methacrylate)
Nitta, H., Ozawa, T.
(342a) Drugsea: A Bioinformatic Tool to Identify Classes of Drugs with Differential Sensitivity
Garana, B., Joly, J., Graham, N., Jeon, P. J.
(342b) Accelerated Design of Flame Retardant Polymeric Nanocomposites Via Machine Learning
Zhang, Z., Jiao, Z., Quan, Y., Jacob, B., Wang, Q.
(656a) Hybrid Monte Carlo – Molecular Dynamics Simulations
Schwing, G., Hardy, D., Stone, J., Schwiebert, L., Tajkhorshid, E., Barhaghi, M. S., Potoff, J., Crawford, B.