Corin Wagen
Corin WagenMy personal blog, focusing on issues of chemistry and metascience, unified by trying to answer the question "how can we make science better"?
| Platform |  | Pricing | Only free issues | Publishes | Weekly |
|---|---|---|---|---|---|
| Issues | 82 | Subscribers | Read | cwagen.substack.com |
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Latest Issues
Recent posts by this newsletter. Browse the email archive.
Are Forcefields Able To Describe Protein Dynamics?
This post assumes some knowledge of molecular dynamics and forcefields/molecular mechanics. For readers unfamiliar with these topics, Abhishaike Mahajan has a great guide to these topics on his blog.
Robots Won't Solve Organic Synthesis
Abhishaike Mahajan recently wrote an excellent piece on how generative ML in chemistry is bottlenecked by synthesis (disclaimer: I gave some comments on the piece, so I may be biased). One of the common reactions to this piece has been that...
Choosing Maximally Dissimilar Molecules
I've been playing around with generating non-equilibrium conformations by molecular dynamics recently, and I've been thinking about how to best parse the outputs of a dynamics simulation. A technique I've seen quite often in the literature ...
Running Simple MD Simulations
Scientific software can be confusing, particularly when you're doing something that the software isn't primarily intended for. I often find myself wanting to run quick-and-dirty molecular dynamics simulations on small organic molecules, but...
Authors
The writers behind this newsletter.
☧, husband/father, computational/organic chemist
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