Аннотация:
Molecular docking is one of the key computational chemistry techniques that are routinely applied to drug discovery. The holy grail of molecular docking is to replace experimental studies of protein-ligand complexes by modeling their structures and binding affinities in silico. However, current practical achievements of docking suggest that approaching experimental accuracy with computations is a big challenge for theoretical chemistry.
Тип публикации:
Статья
Язык публикации: английский
Образец цитирования:
F. N. Novikov, G. G. Chilov, “Molecular docking: theoretical background, practical applications and perspectives”, Mendeleev Commun., 19:5 (2009), 237–242
Образцы ссылок на эту страницу:
https://www.mathnet.ru/rus/mendc3183
https://www.mathnet.ru/rus/mendc/v19/i5/p237
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