FPocketWeb

FPocketWeb detects macromolecular cavities (protein pockets) to identify potential small-molecule binding sites for drug discovery.

Key Features:

• Pocket detection: Identifies protein cavities that can accommodate small-molecule ligands for downstream binding-site analysis.
• Integration with fpocket3: Utilizes the fpocket3 executable and algorithm (Schmidtke and Le Guilloux) for established cavity detection.
• Local computation: Performs pocket-finding calculations on the user's local machine rather than on remote servers.

Scientific Applications:

• Drug discovery and development: Supports identification and characterization of protein binding sites for small-molecule lead discovery.
• Computational structural biology: Enables analysis of potential small molecule–macromolecule interactions and binding-site prioritization.

Methodology:

Analyzes protein structures using the fpocket3 algorithm/executable, with calculations executed locally on the user's device.