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IBM's Systems & Technology Group releases a white paper with 
eHiTS & Cell
Oct 2008

Virtual Screening by Flexible Docking on a PlayStation 3
Apr, 2008

EPA's ToxCastTM project will use SimBioSys' eHiTS as docking engine
Nov, 2007

[Events]

240th ACS
Aug 22-26, 2010
Boston, MA, USA
booth #945
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Gallery of CheVi snapshots

Page 3.


This snapshot displays multiple electrostatic isosurfaces to visualize the electrostatic effects of the receptor on the ligand. The yellow-green surface represents a weak attraction energy value for a positively charged group, the red surface highlights a stronger attractive hotspot. The blue surfaces represent positive repulsive binding energy for a positively charged probe, thus ideal for negatively charged ligand groups. The darker blue surfcae highlights the more positive hotspot. The APPA ligand is rendered in 'Stick & Ball' mode, while the Trypsin receptor is rendered in 'Bond lines only' mode.

Click on the image to get the 3D view of the scene using VRML.




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