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(SB2010 Protein Families [2010.05.19 Initial Release])
(SB2010 Docking Database [2010.05.19 Initial Release])
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== SB2010 Docking Database [2010.05.19 Initial Release]==
 
== SB2010 Docking Database [2010.05.19 Initial Release]==
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The base version of the database is presented as '''Receptors, Ligands and Spheres''', which is applicable to any docking program. The spheres and grids are meant to be used with any version of the DOCK program. DOCK input files used to evaluate the database are also presented.
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The '''Flexibility Subset Lists''' divide the database into three subsets to allow benchmarking of docking programs across three ligand flexibility ranges. Brackets marked as 'To be released' will be made available as the relevant manuscripts are submitted. SB2010 is an on-going project; more structures and related resources will be added in the future.
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|| [http://george.ams.sunysb.edu/SB2010/7orless.txt 7orless] [http://george.ams.sunysb.edu/SB2010/8to15.txt 8to15] [http://george.ams.sunysb.edu/SB2010/15+.txt 15+] [http://george.ams.sunysb.edu/SB2010/all.txt all]  
 
|| [http://george.ams.sunysb.edu/SB2010/7orless.txt 7orless] [http://george.ams.sunysb.edu/SB2010/8to15.txt 8to15] [http://george.ams.sunysb.edu/SB2010/15+.txt 15+] [http://george.ams.sunysb.edu/SB2010/all.txt all]  
 
|}
 
|}
 
  
 
== SB2010 Protein Families [2010.05.19 Initial Release] ==
 
== SB2010 Protein Families [2010.05.19 Initial Release] ==

Revision as of 16:06, 20 July 2010

SB2010 Docking Database [2010.05.19 Initial Release]

The base version of the database is presented as Receptors, Ligands and Spheres, which is applicable to any docking program. The spheres and grids are meant to be used with any version of the DOCK program. DOCK input files used to evaluate the database are also presented.


The Flexibility Subset Lists divide the database into three subsets to allow benchmarking of docking programs across three ligand flexibility ranges. Brackets marked as 'To be released' will be made available as the relevant manuscripts are submitted. SB2010 is an on-going project; more structures and related resources will be added in the future.


Resource Filename
Receptors, Ligands and Spheres SB2010.05.19_rec.lig.sph.tar.gz
Energy and Bump Grids To be released
Alternate Ligand Charge Models To be released
Aligned Protein Families To be released
Flexible Docked Ensembles To be released
Best Flex Docked Poses To be released
DOCK Sample Inputs RGD FAD FLX
Flexibility Subset Lists 7orless 8to15 15+ all

SB2010 Protein Families [2010.05.19 Initial Release]

Protein Family Size
HIV RT 21
Factor Xa 41
Neuraminidase 43
Sialidase 11
Ribonuclease T1 7
OMP Decarboxylase 7
Estrogen Receptor 45
T4 Lysozyme 13
Beta Trypsin 29
Streptavidin 8
Thrombin 37
Tyrosine Phosphatase 20
HMG COA Reductase 20
Ribonuclease A 14
Alpha Trypsin 46
COX 7
Acetylcholinesterase 19
HIV Protease 60
Thermolysin 26
Carboxypeptidase A 8
Matrix Metalloprotease 14
Egg Lysozyme 14
Phospholipase A2 15
Thymidylate Synthase 12
Carbonic Anhydrase 29

Please contact Sudipto.email.png if you face any problems.