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[News]
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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
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[Events]
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| 240th ACS
Aug 22-26, 2010 Boston, MA, USA
booth #945
see >> more
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Gallery of CheVi snapshots
Page 3.
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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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