FLEXR GUI

FLEXR GUI automates multi-conformer modeling of proteins by separating conformational signal from noise and integrating FLEXR models into the crystallographic modeling and validation pipeline within Coot.

Key Features:

• Multi-conformer modeling: Automatically separates conformational signal from noise and builds corresponding structural features into multi-conformer models.
• Coot integration: Seamlessly connects FLEXR models with existing validation and modeling tools in Coot 1.

Scientific Applications:

• Protein crystallography: Enables routine multi-conformer building as part of the computational toolkit for macromolecular crystallography.
• Protein conformational heterogeneity representation: Improves representation of protein conformational heterogeneity in the Protein Data Bank.
• Ligand design: Deeper insights into protein conformational landscapes may provide new opportunities for ligand design.

Methodology:

FLEXR automatically separates conformational signal from noise and builds corresponding structural features into multi-conformer models within a few minutes.