PACSAB server

PACSAB server utilizes a coarse-grained model to study the conformational ensemble and aggregation propensity of proteins.

Key Features:

• Coarse-grained simulation: Runs simulations with the PACSAB model, which is more efficient than standard molecular dynamics for exploring the conformational space of multiprotein systems.
• Aggregation propensity analysis: Reveals the propensity of a protein for aggregation and identifies residues playing a central role in the aggregation process.
• Conformational ensemble reproduction: Reproduces the whole conformational space of disordered proteins.
• Trajectory generation: Generates trajectories from simulations based on the PACSAB model.

Scientific Applications:

• Stable protein analysis: Provides information about the structural ensemble and interactions of stable proteins.
• Disordered protein analysis: Provides information about the structural ensemble and interactions of disordered proteins.
• Aggregation mechanism identification: Identifies residues playing a central role in the aggregation process.

Methodology:

The server runs simulations with the PACSAB model, a highly accurate coarse-grained model that is more efficient than standard molecular dynamics for the exploration of the conformational space of multiprotein systems.