User contributions
This user is currently blocked. The latest block log entry is provided below for reference:
(Latest | Earliest) View (newer 50) (older 50) (20 | 50 | 100 | 250 | 500).
- 11:43, 5 February 2019 (diff | hist) . . (+86) . . N General Dock Utilities (Created page with "*DOCK Installation *Optimize Polar Hydrogens *Footprint Plot Visualization")
- 11:43, 5 February 2019 (diff | hist) . . (+31) . . N DOCK VS Utilities (Created page with "*Virtual Screening Protocol") (top)
- 11:42, 5 February 2019 (diff | hist) . . (+37) . . DOCK DN Utilities (top)
- 11:41, 5 February 2019 (diff | hist) . . (-93) . . Rizzo Lab Information and Tutorials
- 11:41, 5 February 2019 (diff | hist) . . (+62) . . N DOCK DN Utilities (Created page with "*Fragment Library Generation *Make Unique script usage")
- 11:41, 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)
- 11:39, 5 February 2019 (diff | hist) . . (+29) . . Rizzo Lab Information and Tutorials
- 11:38, 5 February 2019 (diff | hist) . . (-30) . . De Novo Design (DOCK DN) (top)
- 11:38, 5 February 2019 (diff | hist) . . (-40) . . Rizzo Lab Information and Tutorials
- 11:37, 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)
- 11:37, 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)
- 11:36, 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)
- 11:35, 5 February 2019 (diff | hist) . . (+25) . . Rizzo Lab Information and Tutorials
- 11:35, 5 February 2019 (diff | hist) . . (-20) . . De Novo Design (DOCK DN)
- 11:34, 5 February 2019 (diff | hist) . . (-28) . . Small Molecule Evolution (DOCK GA) (top)
- 11:34, 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 |...")
- 11:33, 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 |...")
- 11:33, 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...")
- 11:31, 5 February 2019 (diff | hist) . . (+33) . . Rizzo Lab Information and Tutorials
- 11:30, 5 February 2019 (diff | hist) . . (-32) . . Small Molecule Evolution (DOCK GA)
- 11:30, 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...")
- 11:30, 5 February 2019 (diff | hist) . . (-32) . . De Novo Design (DOCK DN)
- 11:29, 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...")
- 11:29, 5 February 2019 (diff | hist) . . (-13) . . Rizzo Lab Information and Tutorials
- 11:29, 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)
- 11:24, 5 February 2019 (diff | hist) . . (+22) . . Rizzo Lab Information and Tutorials
- 11:23, 5 February 2019 (diff | hist) . . (-59) . . Rizzo Lab Information and Tutorials
- 11:21, 5 February 2019 (diff | hist) . . (0) . . Rizzo Lab Information and Tutorials
- 11:19, 5 February 2019 (diff | hist) . . (+12) . . DOCK VS Tutorials
- 13:12, 4 February 2019 (diff | hist) . . (+91) . . Testset Protocols (top)
- 13:07, 4 February 2019 (diff | hist) . . (-26) . . De Novo Design (DOCK DN)
- 13:06, 4 February 2019 (diff | hist) . . (-26) . . Small Molecule Evolution (DOCK GA)
- 13:06, 4 February 2019 (diff | hist) . . (+3,441) . . N DOCK DN Benchmarking (Created page with "{| align="center" border="1" cellpadding="8" cellspacing="0" style="background:white; text-align:left; width:95%" |- style="background:cornflowerblue" | <center>'''Date, Autho...") (top)
- 13:05, 4 February 2019 (diff | hist) . . (-6,460) . . Benchmarking Results (Replaced content with "{| cellpadding=0 width=90% *DOCK_VS Benchmarking - Traditional Virtual Screening *DOCK_DN Benchmarking - De Novo Design *DOCK_GA Benchmarking - Genetic Algorit...")
- 13:05, 4 February 2019 (diff | hist) . . (+6,458) . . N DOCK VS Benchmarking (Created page with "'''ABBREVIATIONS:''' PR = Pose Reproduction VS = Virtual Screening desc = Descriptor Score Grid = Grid Score MG = Multi Grid Score Ph4 = Pharmacophore Score HUN = Hunga...")
- 13:04, 4 February 2019 (diff | hist) . . (+223) . . Benchmarking Results
- 13:02, 4 February 2019 (diff | hist) . . (-554) . . DOCK VS Tutorials
- 12:57, 4 February 2019 (diff | hist) . . (-2) . . Rizzo Lab Information and Tutorials (→DOCK)
- 12:57, 4 February 2019 (diff | hist) . . (+53) . . Rizzo Lab Information and Tutorials (→DOCK)
- 12:55, 4 February 2019 (diff | hist) . . (+25) . . Rizzo Lab Information and Tutorials (→DOCK)
- 12:51, 4 February 2019 (diff | hist) . . (+6,458) . . N Benchmarking Results (Created page with "'''ABBREVIATIONS:''' PR = Pose Reproduction VS = Virtual Screening desc = Descriptor Score Grid = Grid Score MG = Multi Grid Score Ph4 = Pharmacophore Score HUN = Hunga...")
- 12:51, 4 February 2019 (diff | hist) . . (-5) . . Rizzo Lab Information and Tutorials (→DOCK)
- 12:51, 4 February 2019 (diff | hist) . . (-20) . . Rizzo Lab Information and Tutorials (→DOCK)
- 12:50, 4 February 2019 (diff | hist) . . (+1) . . Tutorials
- 12:50, 4 February 2019 (diff | hist) . . (+497) . . Tutorials
- 12:49, 4 February 2019 (diff | hist) . . (-243) . . De Novo Design (DOCK DN)
- 12:48, 4 February 2019 (diff | hist) . . (+242) . . N DOCK DN Tutorials (Created page with "*2018 Denovo design tutorial 1 with PDB 2NNQ *2018 Denovo design tutorial 2 with PDB 1C87 *2017 Denovo design tutorial 1 with PDB 1BJU *2017 Denovo design tutori...")
- 12:47, 4 February 2019 (diff | hist) . . (+1,294) . . N DOCK VS Tutorials (Created page with "*2019 DOCK tutorial 1 with PDBID *2019 DOCK tutorial 2 with PDBID *2019 DOCK tutorial 3 with PDBID *2018 DOCK tutorial 1 with PDBID 2NNQ *2018 DOCK tutori...")
- 12:47, 4 February 2019 (diff | hist) . . (+8) . . Tutorials
- 12:46, 4 February 2019 (diff | hist) . . (+80) . . Tutorials
(Latest | Earliest) View (newer 50) (older 50) (20 | 50 | 100 | 250 | 500).
