MOLEonline 2.0

MOLEonline 2.0 analyzes access and egress paths in biomolecular channels to characterize their structural and physicochemical properties relevant to enzymes, ribosomes, and ion channels.

Key Features:

• Three-dimensional visualization: Provides three-dimensional graphical representations of biomolecular channels.
• Channel profiling: Produces detailed profiles of each channel including lists of lining residues and basic physicochemical properties.
• Access/egress path detection: Identifies and characterizes access and egress paths within biomolecular channels.
• Customizable search parameters: Supports adjustment of advanced search parameters for channel detection and characterization.

Scientific Applications:

• Structural biology: Maps channel architectures and molecular voids within macromolecular structures.
• Enzymology: Characterizes access and egress pathways that influence substrate and product transport in enzymes.
• Pharmacology: Profiles lining residues and physicochemical properties relevant to ligand passage and drug–channel interactions.

Methodology:

Computationally identifies and characterizes access and egress paths in biomolecular channels using advanced computational techniques and user-adjustable search parameters.