Coarse-Grained Simulations: Fundamentals and Applications
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Explores quantum correlation functions and their role in molecular dynamics simulations, including the reconstruction of standard correlation functions from Kubo-transformed ones.
Covers theory and practical applications of protein folding simulations using molecular dynamics, focusing on solvent effects and analysis of folding dynamics.
Covers the fundamentals of numerical flow simulation, emphasizing the importance of understanding the methodology and practicing simulation techniques to run full simulations autonomously.
Covers the molecular dynamics simulation of liquid argon using Lennard-Jones potential and focuses on equilibration and velocity distribution at equilibrium.
Explores forces and structures of biomolecular condensates, including direct and indirect forces, compartmentalization, and phase separation of Intrinsically Disordered Proteins.
