RNAsolo 2.0: multimodal database to study RNAs, their structural families and intermolecular interfaces.

Area of Science:

• Structural Biology
• Computational Biology
• Bioinformatics

Background:

• Understanding RNA structure is vital for deciphering biological roles and therapeutic applications.
• Computational approaches, especially AI, are transforming RNA structural research.
• Limited datasets for RNA-protein and RNA-DNA complexes hinder AI model development.

Purpose of the Study:

• To introduce RNAsolo 2.0, an expanded open-access database of RNA 3D structures and intermolecular interactions.
• To address the need for comprehensive and reliable datasets in RNA structural biology and AI modeling.
• To provide enhanced features for searching and visualizing RNA structural data.

Main Methods:

• Integration of cleaned, non-redundant RNA 3D structures.
• Inclusion of detailed information on intermolecular interactions.
• Addition of Rfam-based family classification and precompiled benchmark sets.
• Development of multimodal data representations (sequence, secondary/tertiary structure, torsion angles).

Main Results:

• RNAsolo 2.0 provides an expanded collection of RNA 3D structures with interaction data.
• The database features Rfam classification and over 2,500 benchmark sets.
• Multimodal representations facilitate diverse analytical approaches.
• Interactive visualization of binding interfaces for specific RNA-protein, RNA-ligand, and RNA-ion interactions.

Conclusions:

• RNAsolo 2.0 serves as a robust platform for RNA structural biology.
• The database supports the development of next-generation AI-driven RNA modeling.
• It facilitates research into RNA functions, interactions, and therapeutic potential.