Recent Advances in Multiscale Methodologies | AIChE

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Recent Advances in Multiscale Methodologies

Chair(s)

Co-chair(s)

Sundaravadivelu Devarajan, D., Texas Tech University

Presentations

8:00 AM
(233a) Symmetric Molecular Dynamics
8:22 AM
(233b) An Extended-Ensemble Relative Entropy Approach to Sequence-Specific Coarse-Grained Models for Peptide Aggregation
8:38 AM
(233c) Drl Take the Wheel: Employing Deep Reinforcement Learning to Drive Vaccine Models
8:54 AM
(233d) Accelerated Kinetic Monte Carlo (kMC) Simulation and Density Functional Theory (DFT) to Predict Turn-over Frequencies in Heterogeneous Complex Catalytic Reactions
9:10 AM
(233e) Towards the Elimination of Backmapping in Multiscale Simulations
9:26 AM
(233f) Implicit Heuristic Model Captures Electrostatic Features of Cell Membrane Environment
9:42 AM
(233g) Hamiltonian-Resolution Replica Exchange Improves Flexible Backbone Protein Docking By Mimicking Induced-Fit Pathways
9:58 AM
(233h) Modeling the Influence of Glycosylation on Protein Interaction
10:14 AM
(233i) Multiscale Molecular Modeling of Flory-Huggins ?-Parameter Calculation and Simulation of Structural Transformation of Photo-Regulated Multicompartment Micelle

Topics 

Computational Molecular Engineering

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Pricing

Individuals

AIChE Pro Members $150.00
AIChE Emeritus Members $105.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
AIChE Explorer Members $225.00
Non-Members $225.00

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