Monday, March 4, 2019
11:15AM - 11:51AM
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B21.00001: Incorporating experimental data into long timescale simulations of macromolecules
Invited Speaker:
Cecilia Clementi
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Monday, March 4, 2019
11:51AM - 12:03PM
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B21.00002: Complex landscape of the epithelial-mesenchymal transition
Francesc Font Clos, Stefano Zapperi, Caterina La Porta
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Monday, March 4, 2019
12:03PM - 12:15PM
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B21.00003: Peptide Aggregation in Solution and Interaction with Inorganic Surfaces: A Metadynamics Investigation
Janani Sampath, Jim Pfaendtner
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Monday, March 4, 2019
12:15PM - 12:27PM
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B21.00004: All-Atom Structure-Based Model of RNA with Explicit Electrostatics and Explicit Treatment of Mobile Ions
Ailun Wang, Mariana Levi, Udayan Mohanty, Paul Whitford
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Monday, March 4, 2019
12:27PM - 12:39PM
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B21.00005: Helix Mediated Aggregation in Poly-Glutamine Tracts
Mehmet Sayar
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Monday, March 4, 2019
12:39PM - 12:51PM
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B21.00006: Boltzmann Generators: Deep Learning of Thermodynamics and Efficient Monte Carlo
Frank Noe
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Monday, March 4, 2019
12:51PM - 1:03PM
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B21.00007: Nonlinear and Hierarchical Discovery of Slow Molecular Modes using Sequential Learning with Natural Constraints
Wei Chen, Hythem Sidky, Andrew L Ferguson
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Monday, March 4, 2019
1:03PM - 1:15PM
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B21.00008: Learning reaction coordinate on-the-fly for sampling complex biomolecular systems with SGOOP and metadynamics
Debabrata Pramanik, Adam Kells, Zachary Smith, Pratyush Tiwary
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Monday, March 4, 2019
1:15PM - 1:27PM
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B21.00009: Understanding Binding Dynamics in Host-Guest Systems with Advanced Sampling Simulations
Anne Leonhard, Jonathan Whitmer
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Monday, March 4, 2019
1:27PM - 1:39PM
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B21.00010: ΞΆ-Glycine: Insight into the Mechanism of a Polymorphic Phase Transition
Craig L. Bull, Giles Flowitt-Hill, Stefano de Gironcoli, Emine Kucukbenli, Simon Parsons, Cong-Huy Pham, Helen Playford, Matthew G. Tucker
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Monday, March 4, 2019
1:39PM - 1:51PM
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B21.00011: A Climbing Multi-String Method to Map Free-Energy Saddles and Minima
Gourav Shrivastav, Cameron Abrams
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Monday, March 4, 2019
1:51PM - 2:03PM
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B21.00012: Conformational free energy surface of cyclooctane from metadynamics in the collective variable space of autoencoder neural network
Bumjoon Seo, Seulwoo Kim, Minhwan Lee, Youn-Woo Lee, Won Bo Lee
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Monday, March 4, 2019
2:03PM - 2:15PM
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B21.00013: Disordered peptide chains in a coarse-grained model
Marek Cieplak, Lukasz Mioduszewski
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