2021 Annual Meeting

Session: CoMSEF Poster Session - Virtual

Presentations

10:30 AM

(656b) Designing a Python Interface for Molecular Dynamics and Monte Carlo Particle Simulations: HOOMD-Blue v3.0
Joshua Anderson, Brandon Butler, Sharon Glotzer
(342ao) Integrative Modeling of the Smc-5/6 Protein Complex
You Yu, Shibai Li, Zheng Ser, Tanmoy Sanyal, Bingbing Wan, Andrej Sali, Alex Kentsis, DInshaw J. Patel, Xiaolan Zhao
(342ab) Obtaining the Equilibrium Adsorption Morphologies of Surfactant Molecules at Metal-Water Interfaces through Advanced Molecular Dynamics Simulations
Abolfazl Faeli Qadikolae, Sumit Sharma
(342ac) Insight in the Glass Transition of the TIP4P/Ice Model
Solene Bechelli, Jerome Delhommelle
(342ah) Full Atomistic Polymer Structure Generation Using Reverse-Mapping Technique, Application to Poly(methy methacrylate)
Hiroya Nitta, Taku Ozawa
(342a) Drugsea: A Bioinformatic Tool to Identify Classes of Drugs with Differential Sensitivity
Belinda Garana, James Joly, Nicholas Graham, Pil Joo Jeon
(342b) Accelerated Design of Flame Retardant Polymeric Nanocomposites Via Machine Learning
Zhuoran Zhang, Zeren Jiao, Yufeng Quan, Benson Jacob, Qingsheng Wang
(656a) Hybrid Monte Carlo – Molecular Dynamics Simulations
Gregory Schwing, David Hardy, John Stone, Loren Schwiebert, Emad Tajkhorshid, Mohammad Soroush Barhaghi, Jeffrey Potoff, Brad Crawford
(342o) Molecular Dynamics Modeling Based Investigation of Protein Instability during “Non-Isothermal” Freezing Process
Tibo Duran, Bruna Minatovicz, Bodhisattwa Chaudhuri
(588f) Uncertainty Quantification in Transition-Matrix Monte Carlo Simulations
Daniel Siderius, Harold Hatch, Alexandria Brady-Mine, Vincent K. Shen
(342c) Comparative Role of Geometric and Chemical Parameters for the Formation of Pair-Wise Nanomolecular Complexes
Minjeong Cha, Emine Sumeyra Turali-Emre, Xiongye Xiao, Paul Bogdan, J. Scott Van Epps, Angela Violi, Nicholas Kotov