Windows 7 » Программы » Ccdc Gold Suite.5.3 (bug fixes and modifications)

Ccdc Gold Suite.5.3 (bug fixes and modifications)

Автор: mitsumi » 22 сентября 2015
Ccdc Gold Suite.5.3 (bug fixes and modifications)
Ccdc Gold Suite 5.3 (bug fixes and modifications) | 565.1 MB

The Cambridge Crystallographic Data Centre (CCDC), a leading provider of structural databases and software for pharmaceutical discovery, materials development, research and education, announce the release of GOLD Suite version 5.3 which contains new features, bug fixes and modifications.

GOLD has proven success in virtual screening, lead optimisation, and identifying the correct binding mode of active molecules.
Comprehensively validated and widely used, GOLD enables you to make confident binding mode predictions, and achieve high database enrichments. GOLD reliably identifies the correct binding mode for a large range of test set cases, and has been shown to perform favourably against other docking tools in numerous independent studies.

GOLD is highly configurable allowing you to take full advantage of your knowledge of a protein-ligand system in order to maximise docking performance. GOLD enables complete user control over speed versus accuracy settings, from efficient virtual screening of large compound libraries, to highly accurate exhaustive sampling for lead optimisation. With a wide range of available scoring functions and customisable docking protocols, GOLD provides consistently high performance across a diverse range of receptor types.

GOLD accounts for receptor flexibility through side-chain flexibility and most importantly ensemble docking. Using a novel methodology which avoids computationally expensive sequential docking of ligands into multiple protein structures, ensemble docking with GOLD solves the challenge of model selection.

A wide range of constraints can be employed to ensure, for example, that key H-bond interactions are fulfilled, or to bias docking results towards a known binding motif. Unfavourable ligand conformations can be eliminated by utilising customisable torsion angle distributions and an extensive library of ring conformations extracted from the Cambridge Structural Database.

The CCDC compiles and distributes the Cambridge Structural Database (CSD), the world's repository of experimentally determined organic and metal-organic crystal structures, and related applications software including GOLD and Relibase+.

Originating in the Department of Chemistry at the University of Cambridge, the CCDC is now a fully independent institution constituted as a non-profit company and a registered charity since 1987.

With over 45 years of scientific expertise the CCDC has a strong track record in basic research through more than 700 peer-reviewed publications.

Ccdc Gold Suite.5.3 (bug fixes and modifications)

Перед тем как скачать Ccdc Gold Suite.5.3 (bug fixes and modifications) бесплатно, без смс, регистрации, на халяву, через торрент, рекомендуем прочитать отзывыо Ccdc Gold Suite.5.3 (bug fixes and modifications).

Другие новости по теме:
  • Total HTML Converter 4.1.60
    Total HTML Converter 4.1.60 Multilanguage | 46.8 MBTotal HTML Converter is a professional grade solution for converting HTML files into PDF, DOC, XLS, XHTML, JPEG, TIFF, TXT, RTF, EMF, SVG, ODT
  • Thwaites Researcher 2.2
    Thwaites Researcher 2.2 | 6 MbBe The First To Easily Find High Traffic Keywords That Convert... Meet Thwaites Researcher: It's the only keyword research tool that doesn't just find keywords, but
  • Atomix VirtualDJ Pro Infinity.v8.0.2465 Multilingual + Content + Portable
    Atomix VirtualDJ Pro Infinity v8.0.2465 Multilingual + Content + Portable | 241 MbVirtualDJ is a DJ software for PC and MAC, which is used by DJs to replace their turntables and CD players, and use
  • Syncovery 7.18f.130 (x86/x64)
    Syncovery 7.18f.130 (x86/x64) | 15/21/15/21 MbLanguages: English, German
  • Любовь без правил в 23 томах
    Любовь без правил - серия книг о Любви, во всех ее проявлениях: страсть, грусть, разлука, ненависть и т. д. Иногда серия называлась "Любовь по правилам и без". Некоторые книги экранизированы.