Overview
Syllabus
Intro
COVID-19 demonstrates the importance of biosciences
Challenges of AI in biomolecular systems Geometric dimensionality where N-5000 for a protein.
Two schools of thinking
Our Strategy
Classical Topology Mobius Strips (1858) Klein Bottle (1882)
Topological invariants: Betti numbers
Vietoris-Rips complexes of planar point sets
Algebraic Topology Vietoris-Rips complexes, persistent homology and topological fingerprint
Topological fingerprints of an alpha helix
Persistent cohomology incorporating non-geometric information in topology
Differential geometry based minimal surface model
Differential Geometry (Connections & curvature forms) Gauss Mean
De Rham-Hodge theory and discrete exterior calculus Hodge decomposition
Evolutionary de Rham-Hodge Filtration of a manifold
Algebraic Graph Theory for Biomolecules
Persistent Spectral Graph (Persistent Laplacian)
Mathematical deep learning
Drug Design Data Resource (D3R) Grand Challenges
Life cycle of SARS-CoV-2 in host cells
Mutation Tracker
Mutations Strengthened SARS
We predicted key mutation sites in prevailing variants Mutations at 501 and 452 in prevailing SARS-CoV-2 variants
We discovered the mechanism of viral transmission and evolution
Mutation-induced binding free energy changes for spike protein-ACE-2 complex (more infectious)
Genome-Math-Al modeling of protein-protein binding affinity changes following mutations
Atlas of emerging variants
Geometric Differential topology topology
Taught by
Applied Algebraic Topology Network