User contributions
(Latest | Earliest) View (newer 100) (older 100) (20 | 50 | 100 | 250 | 500).
- 11:50, 10 June 2019 (diff | hist) . . (0) . . N File:Image n16 connected to cys.png (top)
- 11:50, 10 June 2019 (diff | hist) . . (+172) . . 2019 Covalent docking tutorial 1 with PDB 2VKG
- 11:46, 10 June 2019 (diff | hist) . . (+877) . . 2019 Covalent docking tutorial 1 with PDB 2VKG (→II. Ligand Preparation)
- 11:31, 10 June 2019 (diff | hist) . . (-6) . . 2019 Covalent docking tutorial 1 with PDB 2VKG (→I. Receptor Preparation)
- 11:29, 10 June 2019 (diff | hist) . . (0) . . N File:Deleting cysteine.png (top)
- 11:29, 10 June 2019 (diff | hist) . . (+142) . . 2019 Covalent docking tutorial 1 with PDB 2VKG
- 11:18, 10 June 2019 (diff | hist) . . (+6) . . 2019 Covalent docking tutorial 1 with PDB 2VKG (→I. Receptor Preparation)
- 11:17, 10 June 2019 (diff | hist) . . (-5) . . 2019 Covalent docking tutorial 1 with PDB 2VKG (→I. Receptor Preparation)
- 11:17, 10 June 2019 (diff | hist) . . (+28) . . 2019 Covalent docking tutorial 1 with PDB 2VKG (→I. Receptor Preparation)
- 11:16, 10 June 2019 (diff | hist) . . (-103) . . 2019 Covalent docking tutorial 1 with PDB 2VKG
- 11:12, 10 June 2019 (diff | hist) . . (+38) . . 2019 Covalent docking tutorial 1 with PDB 2VKG (→I. Receptor Preparation)
- 11:12, 10 June 2019 (diff | hist) . . (0) . . N File:Image tsg101 rec charged protonated.png (top)
- 11:09, 10 June 2019 (diff | hist) . . (-47) . . 2019 Covalent docking tutorial 1 with PDB 2VKG
- 11:08, 10 June 2019 (diff | hist) . . (+147) . . 2019 Covalent docking tutorial 1 with PDB 2VKG
- 11:07, 10 June 2019 (diff | hist) . . (+48) . . N File:Image starting structure.png (initial structure for covalent docking tutorial.) (top)
- 11:06, 10 June 2019 (diff | hist) . . (+250) . . 2019 Covalent docking tutorial 1 with PDB 2VKG
- 10:28, 10 June 2019 (diff | hist) . . (+170) . . SB2010 (top)
- 16:53, 6 June 2019 (diff | hist) . . (+85) . . N 2019 Covalent docking tutorial 1 with PDB 2VKG (Created page with "This tutorial teaches you how to dock a covalently bound drug molecule to a receptor.")
- 16:52, 6 June 2019 (diff | hist) . . (+51) . . N DOCK CV Tutorials (Created page with "*2019 Covalent docking tutorial 1 with PDB 2VKG")
- 16:47, 6 June 2019 (diff | hist) . . (-8) . . Tutorials
- 10:35, 21 May 2019 (diff | hist) . . (-10) . . DOCK GIST Parameters (top)
- 11:08, 20 May 2019 (diff | hist) . . (+136) . . DOCK GIST Parameters
- 10:46, 20 May 2019 (diff | hist) . . (+2) . . DOCK GIST Parameters
- 10:45, 20 May 2019 (diff | hist) . . (+198) . . DOCK GIST Parameters
- 10:42, 20 May 2019 (diff | hist) . . (+562) . . N DOCK GIST Parameters (Created page with "{| class="wikitable" |- ! Parameter ! Description ! Default |- | conformer_search_type | Choose between rigid, flex, covalent, denovo, genetic, HDB | Flex |- | gist_score_pri...")
- 11:05, 17 May 2019 (diff | hist) . . (+68) . . Parameter List/Explanations (top)
- 17:16, 14 May 2019 (diff | hist) . . (+6) . . DOCK CV Input File(s) (top)
- 17:15, 14 May 2019 (diff | hist) . . (+103) . . DOCK CV Input File(s)
- 17:12, 14 May 2019 (diff | hist) . . (+4,816) . . N DOCK CV 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 covalent prunin...")
- 17:01, 14 May 2019 (diff | hist) . . (+754) . . DOCK CV Development Goals (top)
- 16:53, 14 May 2019 (diff | hist) . . (+254) . . N DOCK CV Development Goals (Created page with "As of right now only tested on pose reproduction for 2 testcases. Create a sphere file by using the sidechain of the CYS residue. In this case isolate the sulfur, carbon, and...")
- 11:27, 14 May 2019 (diff | hist) . . (0) . . Rizzo Lab Members and Contact Information (→FORMER MEMBERS)
- 11:26, 14 May 2019 (diff | hist) . . (+117) . . Rizzo Lab Members and Contact Information (→FORMER MEMBERS)
- 11:34, 18 April 2019 (diff | hist) . . (-82) . . Rizzo Lab Members and Contact Information (→FORMER MEMBERS)
- 14:13, 17 April 2019 (diff | hist) . . (0) . . Rizzo Lab Members and Contact Information (→CURRENT MEMBERS)
- 14:13, 17 April 2019 (diff | hist) . . (+41) . . Rizzo Lab Members and Contact Information
- 12:46, 16 April 2019 (diff | hist) . . (0) . . 2019 AMS-536 Spring (→Schedule)
- 11:05, 16 April 2019 (diff | hist) . . (+41) . . Rizzo Lab Members and Contact Information
- 15:01, 13 March 2019 (diff | hist) . . (+14) . . 2019 AMS-536 Spring (→Schedule)
- 16:53, 1 March 2019 (diff | hist) . . (-6) . . DOCK VS Development Goals
- 16:43, 1 March 2019 (diff | hist) . . (-12) . . DOCK VS Development Goals
- 16:30, 1 March 2019 (diff | hist) . . (+90) . . DOCK VS Development Goals
- 17:46, 16 February 2019 (diff | hist) . . (+11) . . DOCK DN Development Goals (→List of features/ideas for future releases:)
- 17:45, 16 February 2019 (diff | hist) . . (-213) . . DOCK DN Development Goals (→List of features that we definitely want for the 6.9 release:)
- 17:45, 16 February 2019 (diff | hist) . . (+2) . . DOCK DN Development Goals (→Current Coding Progress:)
- 17:44, 16 February 2019 (diff | hist) . . (+36) . . DOCK DN Development Goals (→Current Coding Progress:)
- 17:44, 16 February 2019 (diff | hist) . . (-204) . . DOCK DN Development Goals (→Current Coding Progress:)
- 17:42, 16 February 2019 (diff | hist) . . (+240) . . DOCK GA Parameters
- 12:15, 16 February 2019 (diff | hist) . . (+1) . . DOCK GA Development Goals
- 15:55, 15 February 2019 (diff | hist) . . (+59) . . DOCK GA Development Goals
- 12:52, 15 February 2019 (diff | hist) . . (+4) . . DOCK GA Development Goals (→To Do List)
- 12:46, 15 February 2019 (diff | hist) . . (+14) . . DOCK GA Development Goals
- 12:46, 15 February 2019 (diff | hist) . . (+567) . . DOCK GA Development Goals
- 12:38, 15 February 2019 (diff | hist) . . (+69) . . DOCK VS Development Goals
- 12:36, 15 February 2019 (diff | hist) . . (-1,208) . . DOCK VS Development Goals
- 12:32, 15 February 2019 (diff | hist) . . (+1,711) . . DOCK VS Development Goals
- 13:39, 11 February 2019 (diff | hist) . . (+45) . . DOCK DN Development Goals (→Current Coding Progress:)
- 11:25, 11 February 2019 (diff | hist) . . (+1) . . DOCK DN Development Goals (→Current Coding Progress:)
- 11:25, 11 February 2019 (diff | hist) . . (+6) . . DOCK DN Development Goals (→Current Coding Progress:)
- 12:48, 7 February 2019 (diff | hist) . . (+1) . . DOCK DN Development Goals (→Current Coding Progress:)
- 12:46, 7 February 2019 (diff | hist) . . (+51) . . DOCK DN Development Goals (→Current Coding Progress:)
- 11:58, 7 February 2019 (diff | hist) . . (+26) . . DOCK DN Development Goals (→Current Coding Progress:)
- 12:53, 4 February 2019 (diff | hist) . . (-7,711) . . De novo Developer Progress (→The input file we should be using:) (top)
- 12:41, 4 February 2019 (diff | hist) . . (-1) . . De novo Developer Progress (→Current Coding Progress:)
- 12:41, 4 February 2019 (diff | hist) . . (+1) . . De novo Developer Progress (→Current Coding Progress:)
- 12:40, 4 February 2019 (diff | hist) . . (-1) . . De novo Developer Progress (→Current Coding Progress:)
- 12:40, 4 February 2019 (diff | hist) . . (+6) . . De novo Developer Progress (→Current Coding Progress:)
- 12:38, 4 February 2019 (diff | hist) . . (+17) . . De novo Developer Progress (→Current Coding Progress:)
- 12:37, 4 February 2019 (diff | hist) . . (+17) . . De novo Developer Progress (→Current Coding Progress:)
- 12:36, 4 February 2019 (diff | hist) . . (+18) . . De novo Developer Progress (→Current Coding Progress:)
- 12:35, 4 February 2019 (diff | hist) . . (+26) . . De novo Developer Progress (→Current Coding Progress:)
- 12:34, 4 February 2019 (diff | hist) . . (-134) . . De novo Developer Progress
- 12:32, 4 February 2019 (diff | hist) . . (+4) . . De novo Developer Progress
- 12:31, 4 February 2019 (diff | hist) . . (+1,083) . . N DOCK GA Developer Progress (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...") (top)
- 12:19, 4 February 2019 (diff | hist) . . (-54) . . Small Molecule Evolution (DOCK GA)
- 12:19, 4 February 2019 (diff | hist) . . (-26) . . Small Molecule Evolution (DOCK GA)
- 12:18, 4 February 2019 (diff | hist) . . (+4,724) . . N DOCK GA Parameter List (Created page with " {| class="wikitable" |+ |- ! Parameter ! Description ! Default Value |- | ga_molecule_file | Initial molecule ensemble in mol2 format || - |- | ga_fraglib_scaffold_file |...") (top)
- 12:17, 4 February 2019 (diff | hist) . . (+86) . . Small Molecule Evolution (DOCK GA)
- 12:11, 4 February 2019 (diff | hist) . . (-18) . . Rizzo Lab Information and Tutorials (→Docking)
- 12:10, 4 February 2019 (diff | hist) . . (-42) . . Rizzo Lab Information and Tutorials (→Insurance)
- 12:06, 4 February 2019 (diff | hist) . . (-14) . . Rizzo Lab Information and Tutorials (→Miscellaneous)
- 12:04, 4 February 2019 (diff | hist) . . (0) . . Rizzo Lab Information and Tutorials (→De novo Design using DOCK)
- 10:59, 31 January 2019 (diff | hist) . . (-7) . . Rizzo Lab Weekly Group Meetings (→Group Meeting Time and Location)
- 10:58, 31 January 2019 (diff | hist) . . (-1) . . Rizzo Lab Weekly Group Meetings (→Group Meeting Time and Location)
- 11:43, 25 January 2019 (diff | hist) . . (+2) . . Parameter List (top)
- 14:30, 24 January 2019 (diff | hist) . . (-24) . . 2019 AMS-536 Spring (→Schedule)
- 14:29, 24 January 2019 (diff | hist) . . (-7) . . 2019 AMS-536 Spring (→Schedule)
- 10:52, 15 January 2019 (diff | hist) . . (+27) . . Rizzo Lab Members and Contact Information (→FORMER MEMBERS)
- 12:10, 4 December 2018 (diff | hist) . . (+27) . . Virtual Screening Protocol (top)
- 12:07, 4 December 2018 (diff | hist) . . (+243) . . Virtual Screening Protocol
- 10:48, 3 December 2018 (diff | hist) . . (+7) . . Release (top)
- 10:48, 3 December 2018 (diff | hist) . . (-11) . . Release
- 10:46, 3 December 2018 (diff | hist) . . (+18) . . Release
- 10:15, 19 October 2018 (diff | hist) . . (-22) . . Gdb (GNU Debugger) (top)
- 11:01, 25 September 2018 (diff | hist) . . (0) . . Parameter List
- 10:02, 18 September 2018 (diff | hist) . . (+2) . . Example of an Single Molecule Evolution Input file
- 10:02, 18 September 2018 (diff | hist) . . (+7,180) . . N Example of an Ensemble Evolution Input file (Created page with "This is a standard input file for CONGA in DOCK6 using multigrid score through descriptor score. Anything dictated with a "PATH" must be changed to work for each user. confo...")
- 10:00, 18 September 2018 (diff | hist) . . (+7,182) . . N Example of an Single Molecule Evolution Input file (Created page with "This is a standard input file for CONGA in DOCK6 using multigrid score through descriptor score. Anything dictated with a "PATH" must be changed to work for each user. confo...")
- 10:00, 18 September 2018 (diff | hist) . . (+69) . . Small Molecule Evolution (DOCK GA)
- 12:30, 11 September 2018 (diff | hist) . . (-4) . . 2018 DOCK tutorial 1 with PDBID 2NNQ (→VIII.Cartesian Minimization)
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