User contributions
This user is currently blocked. The latest block log entry is provided below for reference:
- 09:18, 8 July 2010 (diff | hist) . . (+931) . . Virtual Screening Protocol (→Substructure Searching on Experimentally Determined Hits)
- 08:59, 8 July 2010 (diff | hist) . . (+62) . . Virtual Screening Protocol
- 08:58, 8 July 2010 (diff | hist) . . (+1,767) . . Virtual Screening Protocol (→Compound Selection)
- 12:17, 30 June 2010 (diff | hist) . . (+38) . . Virtual Screening Protocol
- 12:16, 30 June 2010 (diff | hist) . . (-21) . . Virtual Screening Protocol (→ZINC Database)
- 11:36, 30 June 2010 (diff | hist) . . (-1) . . Virtual Screening Protocol (→Clustering using MOE)
- 11:35, 30 June 2010 (diff | hist) . . (+4,057) . . Virtual Screening Protocol (→Clustering using MOE)
- 11:16, 30 June 2010 (diff | hist) . . (+1) . . Virtual Screening Protocol (→Preparation of Reference Molecule for Footprint Rescoring)
- 11:15, 30 June 2010 (diff | hist) . . (+4,153) . . Virtual Screening Protocol (→Preparation of Reference Molecule for Footprint Rescoring)
- 12:31, 29 June 2010 (diff | hist) . . (+1,024) . . Virtual Screening Protocol (→Pose Rescoring using Molecular Footprints)
- 12:22, 29 June 2010 (diff | hist) . . (+521) . . Virtual Screening Protocol (→Minimization of Poses)
- 12:17, 29 June 2010 (diff | hist) . . (+1,118) . . Virtual Screening Protocol (→DOCKing)
- 12:50, 28 June 2010 (diff | hist) . . (+92) . . Virtual Screening Protocol (→DOCKing)
- 12:35, 28 June 2010 (diff | hist) . . (+63) . . Virtual Screening Protocol
- 12:34, 28 June 2010 (diff | hist) . . (+618) . . Virtual Screening Protocol (→ZINC Database)
- 12:23, 28 June 2010 (diff | hist) . . (+373) . . Virtual Screening Protocol
- 12:16, 28 June 2010 (diff | hist) . . (+26) . . N Virtual Screening Protocol
- 12:14, 28 June 2010 (diff | hist) . . (+2) . . Rizzo Lab Information and Tutorials (→DOCKing)
- 12:14, 28 June 2010 (diff | hist) . . (+30) . . Rizzo Lab Information and Tutorials (→DOCKing)
- 16:41, 20 September 2009 (diff | hist) . . (+9) . . Rizzo Lab Members and Contact Information (→CURRENT MEMBERS)
- 14:12, 23 June 2009 (diff | hist) . . (+118) . . Apply for cluster
- 14:03, 27 May 2009 (diff | hist) . . (+3,213) . . N Rizzo Lab Members and Contact Information (→CONTACT)
- 09:25, 18 February 2009 (diff | hist) . . (+54) . . N File:AnnealingRMSD.bmp (Simulated Annealing of TrpCage vs. Native State (1L2Y)) (top)
- 09:30, 16 February 2009 (diff | hist) . . (+132) . . N File:350KRMSD.bmp (RMSD plot of the backbone of a simulation of TrpCage at 350K vs. the native state. Native state taken from first model of 1L2Y.pdb.) (top)
- 09:28, 16 February 2009 (diff | hist) . . (+80) . . N File:350KHbond.bmp (The Trp H and Arg O interaction in TrpCage. Data from a simulation run at 350K.) (top)
- 14:42, 14 February 2009 (diff | hist) . . (+147) . . N File:Trpcagesimhbondgraph.bmp (Graph of distance between Trp H and Arg O in simulation. Note it never achieves appropriate H-Bond distance. It is 1.87A in the native structure.) (top)
- 11:13, 14 February 2009 (diff | hist) . . (+98) . . N File:Trpcagesimhbond.bmp (An image of the simulated trpcage protein with the "hbond" between TRP and the ARG oxygen labeled.) (top)
- 11:11, 14 February 2009 (diff | hist) . . (+83) . . N File:Trpcagenativehbond.bmp (The trpcage native structure with the hbond between TRP and the ARG oxygen labeled.) (top)
- 10:39, 14 February 2009 (diff | hist) . . (+60) . . N File:Trpcagecomparison.bmp (Comparison of Native (white) Trpcage vs. Simulation (Orange)) (top)
- 10:27, 14 February 2009 (diff | hist) . . (+48) . . N File:Trpcagermsd.bmp (RMSD of trpcage simulation vs. 1st model in 1L2Y) (top)
