Friday, March 18, 2022
11:30AM - 11:42AM
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Z06.00001: Coarse-grained simulations elucidate the role of Inositol Hexakisphosphate (IP6) in HIV-1 mature viral capsid self-assembly
Manish Gupta, Gregory A Voth
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Friday, March 18, 2022
11:42AM - 11:54AM
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Z06.00002: Tools for Local Elasticity Calculations and their Applications to Simulations of Lipid Biomembranes
Andrew L Lewis, Benjamin E Himberg, Juan M Vanegas
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Friday, March 18, 2022
11:54AM - 12:06PM
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Z06.00003: Towards a model for charge-driven protein reconstitution using dynamical self-consistent field theory
Sylvia M Luyben, Robert A Wickham
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Friday, March 18, 2022
12:06PM - 12:18PM
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Z06.00004: Dynamical self-consistent field theory simulation of dendritic phytoglycogen nanoparticles
Benjamin E Morling, Sylvia M Luyben, John R Dutcher, Robert A Wickham
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Friday, March 18, 2022
12:18PM - 12:30PM
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Z06.00005: Iterative steady-state restarting of weighted ensemble simulations
John D Russo, Jeremy T Copperman, Daniel M Zuckerman
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Friday, March 18, 2022
12:30PM - 12:42PM
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Z06.00006: Dynamic Density Functional Theory of Multicomponent Cellular Membranes
Liam G Stanton, Tomas Oppelstrup, Helgi I Ingolfsson, Michael P Surh, Felice C Lightstone, James N Glosli
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Friday, March 18, 2022
12:42PM - 12:54PM
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Z06.00007: Modeling the cell cycle of the minimal bacterial cell JCVI-syn3A
Madeline L Stover, Zane R Thornburg, David M Bianchi, Troy A Brier, Benjamin R Gilbert, James Saenz, Clyde A Hutchison III, John I Glass, Zaida Luthey-Schulten
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Friday, March 18, 2022
12:54PM - 1:06PM
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Z06.00008: Coarse-grained simulations of RNAs allowing for conformational transitions of the sugar pucker
Yiheng Wu, Riccardo Alessandri, Aria E Coraor, Tobin R Sosnick, Juan De Pablo
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Friday, March 18, 2022
1:06PM - 1:18PM
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Z06.00009: Building Stimuli-Responsive Nanoparticle Assemblies In Polymer Matrix and Solutions
Pothukuchi Rajesh Pavan, Mithun Radhakrishna
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Friday, March 18, 2022
1:18PM - 1:30PM
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Z06.00010: Rational discovery of cardiolipin-selective small molecules by coarse-grained high-throughput simulations
Bernadette Mohr, Kirill Shmilovich, Isabel S Kleinwächter, Dirk Schneider, Andrew L Ferguson, Tristan Bereau
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Friday, March 18, 2022
1:30PM - 2:06PM
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Z06.00011: Simulating the molecular processes of living matter - what is missing from current models
Invited Speaker:
Ilpo Vattulainen
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