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Anton: A Special-Purpose Machine That Achieves a Hundred-Fold Speedup in Biomolecular Simulations

NC State1 HN recommenders · 2014–2025
12K views · lecture · dated · Uploaded 2012-04-19

David Shaw of D. E. Shaw Research presents Anton, a special-purpose machine that speeds up biomolecular simulations about a hundred-fold. The lecture covers molecular dynamics and how simulation helps understand how drugs bind.

HN points to it as an accessible, interesting talk on molecular dynamics and simulation-based drug discovery.

Computer architecture & CPUsBiology & biotechnologyUniversity lectures & courses

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4 comments from Hacker News

@cma2014 · in “AMD launches Kaveri processors aimed at starting a computing revolution”

I'm not giving you what you want, but here's a visual example of using a computational microscope to understand how drug actually works and finds its binding site: [VIDEO] If you can't see a difference between that and say, X-Ray crystallography then well..

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@conformist2020 · in “David Shaw vs. Seymour Papert Debate (1995) [video]”

There are also some more recent academic talks of his on youtube, mostly focused on his bio-informatics research. E.g. [VIDEO]

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@max_2024 · in “Ask HN: What's a promising area to work on in 2024 -ideally not crowded already?”

> What do you mean by fundamental AI research? Coming up with new/original models that solve the same exact problems that people are trying to solve with neural networks (computer vision, language translation, image generation etc) hopefully that are better performing & cheaper computationally. > What kind of computational model? I think answering that question would be what the researcher in this field is trying todo. I think a place to start would be exploring abandoned AI strategies like Genetics Algorithms & Markov Logic >What are some practical applications of complex systems? - Modeling Financial Markets [1] - Drug discovery via Molecular Dynamics Simulations [2] - Urban Planning [3] - Modeling Epidemics [4] - Cosmology - Computer Graphics - Much more .... [1]: [LINK] [2]: [VIDEO] [3]: [LINK] [4]: [LINK] If interested, subscribe to these podcasts. 1: Simplifying Complexity: [LINK] 2: Complexity: [LINK]

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@max_2025 · in “A Primer on Molecular Dynamics”

There is brilliant video by the hedge fund manager DE Shaw about molecular dynamics simulation. Its very accessible and I found it very interesting — [VIDEO]

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