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Publications
Proceedings
2011 Annual Meeting
Computational Molecular Science and Engineering Forum
Industrial Applications of Computational Chemistry and Molecular Simulation I
2011 Annual Meeting
Session: Industrial Applications of Computational Chemistry and Molecular Simulation I
Presentations
08:30 AM
(225a) Molecular Simulations of Tryalkoxysilane Functionalized Porous Silicates
Santiago Builes, Lourdes F. Vega, Pedro Lopez-Aranguren, Roberta Pacciani, Concepcion Domingo
09:00 AM
(225b) Monte Carlo Simulation of Fluid Phase Equilibria and of Adsorption In Microporous Materials : Investigation of Binary and Multicomponent Systems of Industrial Interest
Philippe Ungerer, Marianna Yiannourakou, Benoit Leblanc
09:20 AM
(225c) Modeling Molecular Recognition In Polymer Self-Assembly
Jed W. Pitera
09:40 AM
(225d) Computer-Aided MOLECULAR Design: Methodology & APPLICATIONS
K. M. Yerramsetty, B. J. Neely, K. A. M. Gasem
10:00 AM
(225e) Molecular Simulation Strategies for Large Scale Thermodynamic Data Generation
Gábor Rutkai, Monika Thol, Roland Span
10:20 AM
(225f) Characterization of Thermal Stability In Endoglucanases with Bioinformatics, Molecular Simulation, and Rosetta Design
Christina M. Payne, Deanne W. Sammond, Yannick J. Bomble, Michael F. Crowley
10:40 AM
(225g) Molecular Dynamics Studies of the Structure and Dynamics of An Endoglucanase Cel9A In Ionic Liquid Solutions
Hanbin Liu, Supratim Datta
