User contributions
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(Latest | Earliest) View (newer 50) (older 50) (20 | 50 | 100 | 250 | 500).
- 10:59, 5 February 2019 (diff | hist) . . (-29) . . Rizzo Lab Information and Tutorials
- 10:58, 5 February 2019 (diff | hist) . . (-236) . . Advanced Dock Utilities/Information (top)
- 10:58, 5 February 2019 (diff | hist) . . (+132) . . N General Dock Utilities/Info (Created page with "*DOCK Installation *Optimize Polar Hydrogens *Footprint Plot Visualization *Sphere Generation *Scoring Functions") (top)
- 10:58, 5 February 2019 (diff | hist) . . (+99) . . N DOCK DN Utilities/Info (Created page with "*Fragment Library Generation *Make Unique script usage *Analog Library - Pubchem & Zinc") (top)
- 10:57, 5 February 2019 (diff | hist) . . (+31) . . N DOCK VS Utilities/Info (Created page with "*Virtual Screening Protocol") (top)
- 10:57, 5 February 2019 (diff | hist) . . (+261) . . Advanced Dock Utilities/Information
- 10:56, 5 February 2019 (diff | hist) . . (-23) . . Rizzo Lab Information and Tutorials
- 10:55, 5 February 2019 (diff | hist) . . (+23) . . General Dock Utilities (top)
- 10:55, 5 February 2019 (diff | hist) . . (+362) . . N Advanced Dock Utilities/Information (Created page with "This page outlines advanced preparation and post processing techniques used regularly in our lab {| cellpadding=0 width=90% *DOCK_VS Utilities - Traditional Virtual Screen...")
- 10:54, 5 February 2019 (diff | hist) . . (+41) . . Rizzo Lab Information and Tutorials
- 10:54, 5 February 2019 (diff | hist) . . (-12) . . Rizzo Lab Information and Tutorials
- 10:53, 5 February 2019 (diff | hist) . . (+12) . . Rizzo Lab Information and Tutorials
- 10:52, 5 February 2019 (diff | hist) . . (-2) . . Rizzo Lab Members and Contact Information
- 10:51, 5 February 2019 (diff | hist) . . (+98) . . Rizzo Lab Members and Contact Information
- 10:48, 5 February 2019 (diff | hist) . . (-63) . . Rizzo Lab Information and Tutorials
- 10:48, 5 February 2019 (diff | hist) . . (+63) . . Legacy Info
- 10:45, 5 February 2019 (diff | hist) . . (-45) . . Rizzo Lab Information and Tutorials
- 10:45, 5 February 2019 (diff | hist) . . (+21) . . N DOCK VS Parameters (Created page with "*Sampling Methods") (top)
- 10:44, 5 February 2019 (diff | hist) . . (+23) . . General Dock Utilities
- 10:43, 5 February 2019 (diff | hist) . . (-156) . . Rizzo Lab Information and Tutorials
- 10:43, 5 February 2019 (diff | hist) . . (+86) . . N General Dock Utilities (Created page with "*DOCK Installation *Optimize Polar Hydrogens *Footprint Plot Visualization")
- 10:43, 5 February 2019 (diff | hist) . . (+31) . . N DOCK VS Utilities (Created page with "*Virtual Screening Protocol") (top)
- 10:42, 5 February 2019 (diff | hist) . . (+37) . . DOCK DN Utilities (top)
- 10:41, 5 February 2019 (diff | hist) . . (-93) . . Rizzo Lab Information and Tutorials
- 10:41, 5 February 2019 (diff | hist) . . (+62) . . N DOCK DN Utilities (Created page with "*Fragment Library Generation *Make Unique script usage")
- 10:41, 5 February 2019 (diff | hist) . . (+362) . . N Advanced Dock Utilities (Created page with "This page outlines advanced preparation and post processing techniques used regularly in our lab {| cellpadding=0 width=90% *DOCK_VS Utilities - Traditional Virtual Screen...") (top)
- 10:39, 5 February 2019 (diff | hist) . . (+29) . . Rizzo Lab Information and Tutorials
- 10:38, 5 February 2019 (diff | hist) . . (-30) . . De Novo Design (DOCK DN) (top)
- 10:38, 5 February 2019 (diff | hist) . . (-40) . . Rizzo Lab Information and Tutorials
- 10:37, 5 February 2019 (diff | hist) . . (+104) . . N DOCK GA Input File(s) (Created page with "*Example of an Single Molecule Evolution Input file *Example of an Ensemble Evolution Input file") (top)
- 10:37, 5 February 2019 (diff | hist) . . (+8,420) . . N DOCK DN Input File(s) (Created page with "This is a standard input file for de novo DOCK6 using multigrid score through descriptor score. conformer_search_type denovo dn_fragl...") (top)
- 10:36, 5 February 2019 (diff | hist) . . (+273) . . N Example Input Files (Created page with "{| cellpadding=0 width=90% *DOCK_VS Input File(s) - Traditional Virtual Screening Development *DOCK_DN Input File(s) - De Novo Design Development *DOCK_GA Input File...") (top)
- 10:35, 5 February 2019 (diff | hist) . . (+25) . . Rizzo Lab Information and Tutorials
- 10:35, 5 February 2019 (diff | hist) . . (-20) . . De Novo Design (DOCK DN)
- 10:34, 5 February 2019 (diff | hist) . . (-28) . . Small Molecule Evolution (DOCK GA) (top)
- 10:34, 5 February 2019 (diff | hist) . . (+4,724) . . N DOCK GA Parameters (Created page with " {| class="wikitable" |+ |- ! Parameter ! Description ! Default Value |- | ga_molecule_file | Initial molecule ensemble in mol2 format || - |- | ga_fraglib_scaffold_file |...")
- 10:33, 5 February 2019 (diff | hist) . . (+3,030) . . N DOCK DN Parameters (Created page with " {| class="wikitable" |- ! Parameter ! Description ! Default |- | conformer_search_type | Choose between flex, rigid, denovo, or genetic | Flex |- | dn_fraglib_scaffold_file |...")
- 10:33, 5 February 2019 (diff | hist) . . (+259) . . N Parameter List/Explanations (Created page with "{| cellpadding=0 width=90% *DOCK_VS Parameters - Traditional Virtual Screening Parameters *DOCK_DN Parameters - De Novo Design Parameters *DOCK_GA Parameters - Ge...")
- 10:31, 5 February 2019 (diff | hist) . . (+33) . . Rizzo Lab Information and Tutorials
- 10:30, 5 February 2019 (diff | hist) . . (-32) . . Small Molecule Evolution (DOCK GA)
- 10:30, 5 February 2019 (diff | hist) . . (+1,083) . . N DOCK GA Development Goals (Created page with "==To Do List== -xover- guided based on score 1. good v good 2. bad v good 3. bad v bad nonexhaustive xover (pick subset of xover based on probability) 2-3 point xove...")
- 10:30, 5 February 2019 (diff | hist) . . (-32) . . De Novo Design (DOCK DN)
- 10:29, 5 February 2019 (diff | hist) . . (+6,743) . . N DOCK DN Development Goals (Created page with "This is the Rizzo lab wiki page for coordinating bugs and progress on the de novo project. <br> === Valgrind clean version of the code on cluster that Rizzo lab should be usi...")
- 10:29, 5 February 2019 (diff | hist) . . (-13) . . Rizzo Lab Information and Tutorials
- 10:29, 5 February 2019 (diff | hist) . . (+480) . . N General Dock Development Goals (Created page with "DOCK 6.10 To do list *(1)Update the FMS and FPS test cases *(2)Change variables in the FMS and FPS *(3)Merge all the changes with the latest CVS version for testing *(4)Up...") (top)
- 10:24, 5 February 2019 (diff | hist) . . (+22) . . Rizzo Lab Information and Tutorials
- 10:23, 5 February 2019 (diff | hist) . . (-59) . . Rizzo Lab Information and Tutorials
- 10:21, 5 February 2019 (diff | hist) . . (0) . . Rizzo Lab Information and Tutorials
- 10:19, 5 February 2019 (diff | hist) . . (+12) . . DOCK VS Tutorials
- 12:12, 4 February 2019 (diff | hist) . . (+91) . . Testset Protocols (top)
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