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David Baker | De Novo Protein Design

Foresight Institute Radio

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The Rosetta Force Field and the TASium Channel

I'd like to know maybe one level down if you don't mind the under the hood of some of your modeling. To what degree is it electronic structure, all the complicated stuff like what about the water? Yeah. What about the reactions? Is it just shapes? Is it more than that? Or is it all like machine learned concepts where you don't have to worry about physics? It's a really good question. So it's basically molecular mechanics with basically the main difference between the Rosetta force field and it's traditional like a mechanics force field. You need these hydrogen bonds give you a lot of the precision and the orientation control. These could those needs to making interactions with water before

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