Recent Advances in Multiscale Methodologies | AIChE

Other Sites & Tools

Technical Groups

Recent Advances in Multiscale Methodologies

Chair(s)

Co-chair(s)

Sundaravadivelu Devarajan, D., Texas Tech University

Papers

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

Checkout

Paper abstracts are public but to access Extended Abstracts, you must first purchase the conference proceedings.

Checkout

Do you already own this?

Pricing

Individuals

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

More Conference Links