In this blog I will catalog various examples of how to get started with molecular modeling and how to use it in chemical education.
The title of the blog reflects that of a book I am working on and that will be published by CRC press in 2010.
Posts
Physics-based molecular fingerprints from spectral graph theory provide
efficient geometry-aware measures of chemical similarity
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Jacob W. Toney, Ayleen Y. Farnood, Samir Darouich and Heather J. Kulik
(2026)
Highlighted by Jan Jensen
This paper caught my attention for two reasons. F...
5 days ago
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