Drug discovery's hardest computational problems cluster around a small set of chemical features that classical methods handle poorly. Transition metals, common in the catalytic centers of enzymes, have electron configurations that classical force fields must approximate crudely.
Molecules with unpaired electrons, known as radicals, behave in ways that defy the simplifying assumptions built into most classical chemistry software. And binding pockets where a drug candidate must fit with sub-angstrom precision often hinge on energy differences too small for classical approximation to resolve reliably.
Quantum computing's proponents argue, and a growing body of research supports, that these are exactly the cases where a quantum processor's native ability to represent electronic structure could produce answers that classical methods simply cannot reach, regardless of how much supercomputing power is thrown at the problem.
Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.
Vendeur : California Books, Miami, FL, Etats-Unis
Etat : New. Print on Demand. N° de réf. du vendeur I-9798173521927
Quantité disponible : Plus de 20 disponibles
Vendeur : PBShop.store UK, Fairford, GLOS, Royaume-Uni
PAP. Etat : New. New Book. Shipped from UK. Established seller since 2000. N° de réf. du vendeur L2-9798173521927
Quantité disponible : Plus de 20 disponibles
Vendeur : AHA-BUCH GmbH, Einbeck, Allemagne
Taschenbuch. Etat : Neu. Neuware - Drug discovery's hardest computational problems cluster around a small set of chemical features that classical methods handle poorly. Transition metals, common in the catalytic centers of enzymes, have electron configurations that classical force fields must approximate crudely. Molecules with unpaired electrons, known as radicals, behave in ways that defy the simplifying assumptions built into most classical chemistry software. And binding pockets where a drug candidate must fit with sub-angstrom precision often hinge on energy differences too small for classical approximation to resolve reliably. Quantum computing's proponents argue, and a growing body of research supports, that these are exactly the cases where a quantum processor's native ability to represent electronic structure could produce answers that classical methods simply cannot reach, regardless of how much supercomputing power is thrown at the problem. N° de réf. du vendeur 9798173521927
Quantité disponible : 2 disponible(s)