KVFinder-web

KVFinder-web detects and characterizes biomolecular cavities to analyze molecular interactions of small molecules with receptors that modulate catalytic processes.

Key Features:

• Biomolecular cavity detection: Performs detection of cavities on molecular surfaces of biomolecular structures.
• Cavity characterization: Provides detailed characterization of detected cavities relevant to geometry and interaction potential.
• parKVFinder extension: Implements and extends the parKVFinder software for cavity analysis.
• RESTful web service: Processes client requests and manages job submissions for cavity detection and characterization tasks.
• Structure analysis: Analyzes biomolecular structures to identify cavities implicated in molecular interactions and catalytic function.

Scientific Applications:

• Molecular interaction analysis: Investigating how small molecules engage receptors within cavities.
• Catalysis studies: Examining cavities that modulate catalytic processes and enzymatic function.
• Structural biology and biophysics: Supporting biochemical and biophysical studies of structure–function relationships.

Methodology:

Extension of the parKVFinder software; a RESTful web service processes client requests, manages job submissions, and executes cavity detection and characterization tasks.