Skip navigation
Skip navigation

Application of semiempirical quantum chemical methods as a scoring function in docking.

Vasilyev, Vladislav; Bliznyuk, Andrei

Description

A crucial point in docking simulations is the scoring function used for estimation of the target-ligand interaction energy. The usual practice is to employ fast but simplified empirical scoring functions. Rigorous quantum chemical methods are too slow to

CollectionsANU Research Publications
Date published: 2004
Type: Journal article
URI: http://hdl.handle.net/1885/77846
Source: Theoretical Chemistry Accounts
DOI: 10.1007/s00214-004-0589-9

Download

There are no files associated with this item.


Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  12 November 2018/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator