Theme 1. ANALYSIS OF BIOMOLECULAR INTERACTIONS AND MUTATIONS
Contact analysis in protein-protein interactions
Interfaces/Epitopes analysis and mapping with application to SARS-CoV-2 variants
Antibodies/nanobodies paratope analysis: modes of binding, mapping & germlines annotations to SARS CoV-2
Impact of mutations on the protein stability and binding interfaces
Theme 2. ANALYSIS OF BIOMOLECULAR FLEXIBILITY AND SYMMETRY
Rigidity/Flexibility analysis to delineate flexible subdomains/motifs
Backbone vs side chain flexibility
Structural symmetry analysis and annotations
Theme 3. BIOMOLECULAR REPRESENTATIONS AND VISUALIZATION
2D Cartoon of protein domains
2D Topology/Sequence Map Templates
3D Cartoons - Geometrical objects
Transformations and Geometrical Macrovariables
Theme 4. ANALYSIS OF LARGE DATASETS
iCn3D-based Node.js scripts to analyze big data
Management and visualization of large datasets including dynamics data in iCn3D
Composite molecular assembly building using large structural datasets
Theme 5. DATABASES AND ANNOTATIONS
Membrane Protein Domains/Motifs Annotations
Machine learning based annotations: application to single-pass membrane proteins
Theme 6. COLLABORATION INTERFACES AND DATA SHARING MECHANISMS
External servers - installation of iCn3D on independent servers with data sharing capabilities
Shared iCn3D links rooted in Uniprot