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Corin Wagen

Corin Wagen

My personal blog, focusing on issues of chemistry and metascience, unified by trying to answer the question "how can we make science better"?

Platform
Substack
PricingOnly free issuesPublishesWeekly
Issues82SubscribersRead 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.

a month ago
4
4

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...

2 months ago
7
0

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 ...

4 months ago
4
0

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...

5 months ago
2
2

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Authors

The writers behind this newsletter.

  • Corin Wagen

    ☧, husband/father, computational/organic chemist

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