Biology concerns the structure, function, development, and evolution of living organisms. It underwent a dramatic transformation from macroscopic to microscopic (i.e., ``molecular'') in the 1960s and assumed an omics dimension around the dawn of the millennium. Understanding the rules of life is the major mission of biological sciences in the 21st century. The technological advances in the past few decades have fueled the exponential growth of biological data. The past two decades have witnessed the rapid development of mathematical approaches for quantitative analysis, characterization, representation, and description of biomolecular data. For example, simplicial geometry, differential geometry, geometric algebra, differential topology, algebraic topology, geometric topology, knot theory, geometric graph, spectral graph, and topological graph have been devised for deciphering biomolecular structure-function relationships, which are the holy grail of molecular biology and biophysics. My talk will focus on the recent advances in developing algebraic topology, differential geometry and graph theory-based methods for modeling and analysis of biomolecules. These methods are paired with advanced deep learning algorithms to discover new drug candidates.

Algebraic topology, differential geometry, and graph theory for biomolecules

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.