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▄ ▄████▓▓▄▄▄ ▄ ▄ [ MOST PROUDLY PRESENTS ] ▄ ▄ ▄▄▄▓▓████▄ ▄
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CCDC GOLD v3.0.1
(c) Cambridge Crystallographic Data Centre
Supplier . : RECOiL Size ..... : 28 x 3.00MB
Cracker .. : RECOiL Protection : FlexLM
Packager . : RECOiL Type ..... : Molecular Modeling
Date ..... : 04-19-2006 OS ....... : AIX
Requirements: IBM RS/6000, AIX 4.3
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░▓█████████████████████▓░ [ RELEASE NOTES ] ░▓██████████████████████▓░
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GOLD is a program for calculating the docking modes of small molecules
into protein binding sites. The product of a collaboration between the
University of Sheffield, GlaxoSmithKline plc and CCDC, GOLD is very
highly regarded within the molecular modelling community for its
accuracy and reliability.
GOLD features:
- A genetic algorithm (GA) for protein-ligand docking
- Full ligand flexibility and partial protein flexibility during docking
- Energy functions partly based on conformational and non-bonded contact
information from the CSD
- A choice of scoring functions: GoldScore, ChemScore and User defined
score. The GOLD Scoring Function Application Programming Interface (API)
allows users to modify the GOLD scoring-function mechanism in order to:
- implement their own scoring function or enhance existing scoring functions
- customise docking output
- A variety of constraint options
- SILVER, for post-processing docking results
- Automatic consideration of cavity bound water molecules
- Improved handling and control of metal coordination geometries
- Automatic derivation of GA settings for particular ligands
GOLD has been fully validated against 305 diverse and extensively
checked protein-ligand complexes from the PDB (CCDC/Astex Test Set). 72%
of GOLD's top-ranked solutions were found to be accurate using stringent
success criteria.
GOLD's genetic algorithm parameters are optimised for virtual screening
applications. GOLD is optimised for parallel execution on processor
networks; a distributed version of GOLD is available for use on
commercial PC GRID systems.
SILVER - Post-processing of Docking Results
SILVER is a new program included for use with GOLD and can be used to
post-process docking results for large numbers of ligands. SILVER allows
easy set-up and calculation of a variety of customisable descriptors
(parameters that describe dockings) that quantify, amongst other things:
- the hydrogen-bonding interactions that occur between protein and docked ligand
- the H-bond interactions that do not occur, e.g. a protein H-bond donor
that is prevented from forming a hydrogen bond by a ligand hydrophobic group
- other close contacts between protein and ligand the buried surface area
of the ligand, or of certain types of atoms in the ligand (e.g. hydrophobic atoms)
- whether particular regions of the binding site are occupied by the ligand
- simple properties such as the number of H-bonding ligand atoms,molecular
weight of ligand, number of rotatable bonds
Although not its primary purpose, SILVER also serves as a browser for
visualising protein-ligand dockings from GOLD.
http://www.ccdc.cam.ac.uk/products/life_sciences/gold/
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░▓█████████████████████▓░ [ INSTALLATION ] ░▓██████████████████████▓░
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Unzip , Unrar , Install. Follow the instructions in crack.zip
Enjoy!
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░▓█████████████████████▓░ [ GROUP iNFO ] ░▓██████████████████████▓░
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We are not taking any applications. We are an invite only group.
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░▓█████████████████████▓░ [ GREETINGS ] ░▓██████████████████████▓░
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Our friends, our loyal members and our fair competitors.
You know who you are.
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░▓████████████▓░ [ RECOiL IN 2006 - ONE MORE IMPACT! ] ░▓████████████▓░
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