Created: 17 September 2007 | Watched by: 10 people | Comments: 0 comments

Full text Tags only [Clear search]

[Spam reported - thank you]

• Add to my
  bookmarks

  Add comment

  1 group
  1 person
  

  Chemical Computing Group 

  http://www.chemcomp.com/

  A. Desch nes and E. Sourial We describe a scaffold replacement methodology based upon an extension of MOE's pharmacophore features. The special "Link" pharmacophore features can be used in conjunction ... with other features, SMARTS patterns and volume constraints. P. Labute Protonate 3D is an application which assigns protonation states and geometries (taking titration into account) to macromolecular structures using an algorithm that solves the Unary Quadratic Optimization problem.   [More...] [Less...]

  First added: 28 January 2008, by: Nik Petrovic  [Report as spam]

  Average rating (1 rating):

  1 2 3 4 5

  Tags:  bio, medicine, biology, ccg, chemical , computing, macromolecular, pharmaceutical, protein, repository   [More...] [Less...]