Field of Science

If computational recipes were like food recipes...

...the menu at Boston's elegant L'Espalier might look something like this.

Maine beef tenderloin: Carrot tagliatelle al ragù, gorgonzola mornay, sunny side up quail egg, crispy shallots

10 ns molecular dynamics run: Replica exchange, orthorhombic box, embedded sodium ions, 1 fs time step, Nose-Hoover thermostat. Happy water molecules. Smooth trajectory.

West Coast King salmon, lightly smoked, with vanilla and cardamom: faux hazelnut gnocchi and pumpkin juice

New England Induced-fit Docking protocol: Braised loop resampling, 5A residue movement, multicore run with threading. Optional polarized force field (add 10 tokens). Error bars.

Honey glazed duck for two with roasted pumpkin, chestnut, foie jus, smoked chocolate puree and toasted nuts and seeds (add 20)

Multi-ligand conformer search: Seared 10 kcal/mol energy window. Glazed harmonic potential. Monte-Carlo dihedral drive (add 20 tokens). Experimental infusion.

Licorice glazed Hudson Valley foie gras with black trumpet mushrooms, hay ash roasted banana, black sesame and almond-rice milk.

Similarity search: Shape-based scaffold hopper, optionally paired with electrostatics. Statistically validated (add 50 tokens). 

There's a reason they're called computational "recipes".

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