CAVER Analyst

CAVER Analyst analyzes and quantifies tunnels, channels, and cavities in protein structures to characterize transport pathways for ligands, solvents, and ions.

Key Features:

• Quantitative Analysis: Computes quantitative metrics of tunnels, channels, and cavities that influence transport pathways within protein structures.
• Temporal Visualization: Visualizes spatiotemporal behavior of tunnels and channels across static structures and molecular dynamics trajectories.
• Advanced Inspection Techniques: Provides techniques for detailed analysis of structural dynamics in large protein complexes and molecular dynamics simulations.
• Efficient Data Analysis: Implements integrated algorithms for efficient analysis and data reduction of large datasets from static and dynamic protein structures.

Scientific Applications:

• Biological Function Analysis: Studies transport paths to elucidate mechanisms underlying protein function and interactions.
• Protein Engineering: Informs design and modification of proteins by characterizing structural features that affect transport pathways.
• Molecular Dynamics Studies: Analyzes dynamic behavior of protein tunnels and channels within molecular dynamics simulations.

Methodology:

Employs integrated algorithms to perform efficient analysis and data reduction on large datasets derived from static and dynamic protein structures and to handle molecular dynamics simulations.