ISAMBARD

ISAMBARD enables parametric structural analysis, model building, and rational design of biomolecules to generate and explore de novo protein folds and backbone conformations.

Key Features:

• Structural analysis and model building: Supports parametric model building and structural analysis of biomolecules.
• Parametric modeling and backbone variability: Generalizes parametric modeling tools to introduce controlled backbone variability and generate novel backbone conformations and entire folds.
• Geometric description independent of experimental data: Describes proteins' overall shapes geometrically without reliance on experimentally determined structures.
• De novo protein-fold exploration: Enables creation of de novo protein structures and access to unexplored regions of protein-fold space.
• Computational scalability: Designed to handle large-scale computations for extensive biomolecular modeling tasks.
• Modular architecture: Provides a modular design that allows customization and extension of computational functionalities.

Scientific Applications:

• Biomolecular design: Designing new proteins with desired structures and functions to support applications such as drug discovery and therapeutic development.
• Biotechnology: Engineering biomolecules with enhanced properties or novel functionalities for biotechnological applications.
• Synthetic biology: Designing custom protein structures to perform specific tasks within engineered biological systems.

Methodology:

Employs a geometric approach and a generalization of parametric modeling tools to describe overall protein shape independent of experimental structures, enabling controlled backbone variability and generation of de novo folds.