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Molecular Dynamics

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Molecular Dynamics

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Research Frontiers in Atomistic Membrane Protein Dynamics

High-resolution simulation of membrane protein conformational changes and lateral diffusion in lipid bilayers with explicit water and ions.

Conformational Breathing in Integral Membrane Proteins
Lipid-Induced Allosteric Regulation at Membrane Interfaces
Transient Pore Formation in Channel Gating Mechanisms
Membrane Curvature Sensing by Structural Adaptation
Oligomeric Assembly Pathways in Transmembrane Complexes
Hydrophobic Collapse and Unfolding in Lipid Bilayers
Rotational Diffusion in Multi-Span Transporters
Water-Mediated Protonation Cascades in Membrane Proteins
Collective Dynamics Underlying Cooperative Transport Events
Rare-Event Sampling in Protein-Membrane Dissociation

All Molecular Dynamics PhD categories