Coarse-Grained Simulations: Fundamentals and Applications

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Coarse-Grained Simulations: Basics and Applications

Covers coarse-grained simulations, including advantages, schemes, DPD algorithm, lipid membrane coarse-graining, and setting interaction parameters.

Computational Cell Biology: Simulations Insights

Explores computer simulations in cell biology, focusing on Molecular Dynamics and Monte Carlo, to gain insights into complex biological systems and their limitations.

Molecular dynamics under constraints

Explores molecular dynamics simulations under holonomic constraints, focusing on numerical integration and algorithm formulation.

Protein Folding Simulations

Covers theory and practical applications of protein folding simulations using molecular dynamics, focusing on solvent effects and analysis of folding dynamics.

Lipids: Fundamentals and Properties

Covers the fundamentals of lipids, their roles in the cell membrane, and the influence of (un)saturated chains and cholesterol on membrane stability.

Molecular dynamics and integrators

Explores molecular dynamics, integrators, trajectory generation, and error monitoring in atomistic modeling.

Molecular Dynamics Basics

Covers the fundamentals of Molecular Dynamics, including the Ergodic Hypothesis, force fields, and periodic boundary conditions.

Protein Lipidation: Membrane Localization and Signalling

Covers protein lipidation, membrane localization, major lipid classes, signaling modulation, and lipid rafts in biological membranes.

Membrane Dynamics: Pores and Aggregates

Discusses self-assembly dynamics in oil and lipid systems, focusing on aggregate growth and pore formation in lipid bilayers.

Efficient Stochastic Numerical Methods

Explores efficient stochastic numerical methods for modeling and learning, covering topics like the Analytical Engine and kinase inhibitors.