Cutting-Edge Theoretical Studies

Dive into peer-reviewed articles on DFT simulations, reaction mechanisms, and ab initio calculations shaping modern chemical science.

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Protein Structural Comparison: How Graph Theory Is Cracking the Code of Life

Explore how graph theory is revolutionizing protein structure comparison, enabling rapid analysis of millions of protein structures for drug discovery and bioengineering.

Carter Jenkins
Oct 23, 2025

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