User contributions for Mtsukanov

15 July 2025

• 21:5921:59, 15 July 2025 diff hist 0‎ How to be Max ‎No edit summary current
• 21:5921:59, 15 July 2025 diff hist +75‎ How to be Max ‎No edit summary
• 21:5521:55, 15 July 2025 diff hist −1‎ How to be Max ‎No edit summary
• 21:5521:55, 15 July 2025 diff hist −1‎ How to be Max ‎No edit summary
• 21:5421:54, 15 July 2025 diff hist −4‎ How to be Max ‎No edit summary
• 21:5421:54, 15 July 2025 diff hist −1‎ How to be Max ‎No edit summary
• 21:3121:31, 15 July 2025 diff hist +472‎ How to be Max ‎No edit summary
• 21:2521:25, 15 July 2025 diff hist +141‎ How to be Max ‎No edit summary

8 July 2025

• 21:3121:31, 8 July 2025 diff hist +190‎ How to be Max ‎No edit summary
• 21:1521:15, 8 July 2025 diff hist +8‎ How to be Max ‎ →‎AB3
• 21:1521:15, 8 July 2025 diff hist +155‎ How to be Max ‎No edit summary

12 June 2025

• 18:4318:43, 12 June 2025 diff hist −40‎ m Group Meeting ‎No edit summary

11 February 2025

• 21:0821:08, 11 February 2025 diff hist +115‎ N How to be Max ‎ Created page with "- Look at guide in https://docs.google.com/document/d/1b5BvlcbFbhpbc3ZJQ3ehd1ussrMTcd2UyMEk7yXi58I/edit?usp=sharing"

26 July 2024

• 19:2119:21, 26 July 2024 diff hist +89‎ Fe database ‎No edit summary current

28 June 2024

• 20:0220:02, 28 June 2024 diff hist +12‎ Fe database ‎No edit summary

25 June 2024

• 14:0614:06, 25 June 2024 diff hist +433‎ Covalent Library Preparation 2024 ‎No edit summary

15 June 2024

• 17:4417:44, 15 June 2024 diff hist +4‎ Covalent Library Preparation 2024 ‎No edit summary
• 17:4017:40, 15 June 2024 diff hist +140‎ Covalent Library Preparation 2024 ‎No edit summary

14 June 2024

• 19:2619:26, 14 June 2024 diff hist +29‎ Fe database ‎No edit summary
• 19:2519:25, 14 June 2024 diff hist −23‎ Fe database ‎No edit summary
• 19:2419:24, 14 June 2024 diff hist +8‎ Fe database ‎ →‎Organization in Fe Files
• 19:2419:24, 14 June 2024 diff hist +23‎ Fe database ‎ →‎Organization in Fe Files
• 19:2219:22, 14 June 2024 diff hist 0‎ Fe database ‎ →‎Useful Commands
• 19:2019:20, 14 June 2024 diff hist +4‎ Fe database ‎No edit summary
• 19:1919:19, 14 June 2024 diff hist +1‎ Fe database ‎No edit summary
• 19:1919:19, 14 June 2024 diff hist +868‎ Fe database ‎No edit summary

7 June 2024

• 18:1918:19, 7 June 2024 diff hist +6‎ Covalent Library Preparation 2024 ‎No edit summary
• 18:1818:18, 7 June 2024 diff hist +431‎ Covalent Library Preparation 2024 ‎No edit summary

4 June 2024

• 20:3920:39, 4 June 2024 diff hist −15‎ Covalent Library Preparation 2024 ‎ →‎Preparing ligands

21 May 2024

• 19:4619:46, 21 May 2024 diff hist +18‎ Covalent Library Preparation 2024 ‎No edit summary

20 February 2024

• 22:1522:15, 20 February 2024 diff hist +1,061‎ N Covalent Library Preparation 2024 ‎ Created page with "Modify warhead to covalent adduct with SiH3 added. == Prepare “SMILES ID” file. == ssh n-1-17 (or another development node) Source environment with RDkit source /mnt/nfs/ex9/work/ttummino/miniconda/etc/profile.d/conda.sh conda activate base3.7 python ~ak87/PROGRAM/convert_smiles_to_covalent.py ald bbv-cov-ald.smi bbv-cov-ald-test.smi This script enumerates all stereoisomers and converts SMILES to the covalent ones. Currently, only conversions for aldehydes..."

5 December 2023

• 19:4819:48, 5 December 2023 diff hist +416‎ AB3 Developer Notes ‎No edit summary

21 September 2023

• 19:5719:57, 21 September 2023 diff hist +19‎ CLI Enumeration ‎ →‎Useful Resources current
• 19:5619:56, 21 September 2023 diff hist +3‎ CLI Enumeration ‎No edit summary
• 19:5519:55, 21 September 2023 diff hist +270‎ CLI Enumeration ‎No edit summary
• 19:5319:53, 21 September 2023 diff hist +18‎ CLI Enumeration ‎No edit summary
• 19:5319:53, 21 September 2023 diff hist +32‎ CLI Enumeration ‎No edit summary
• 19:5219:52, 21 September 2023 diff hist +27‎ CLI Enumeration ‎No edit summary

10 August 2023

• 19:2119:21, 10 August 2023 diff hist 0‎ CLI Enumeration ‎No edit summary
• 19:1919:19, 10 August 2023 diff hist +6‎ CLI Enumeration ‎No edit summary
• 19:1719:17, 10 August 2023 diff hist +16‎ CLI Enumeration ‎No edit summary
• 19:1419:14, 10 August 2023 diff hist +346‎ CLI Enumeration ‎No edit summary
• 19:0419:04, 10 August 2023 diff hist +8‎ CLI Enumeration ‎No edit summary
• 19:0419:04, 10 August 2023 diff hist +528‎ CLI Enumeration ‎No edit summary
• 18:5218:52, 10 August 2023 diff hist 0‎ CLI Enumeration ‎No edit summary
• 18:5118:51, 10 August 2023 diff hist +2,038‎ N CLI Enumeration ‎ Created page with "== Coding the Reactions == Step 1. Pick out the reactions that you want to enumerate. This can be done either through already-made reactions that are in commons.docking.org or you can use those reaction SMARTS and inclusion/exclusion SMARTS as examples/guidelines to make your own reaction/s. We recommend using the daylight SMARTS as a resource if you plan on doing this: https://www.daylight.com/dayhtml/doc/theory/theory.smarts.html. Once you have your reaction we recomme..."

23 May 2023

• 21:2521:25, 23 May 2023 diff hist +11‎ Particle Shape Calculator for CCDC/Mercury ‎ →‎VisualHabit current
• 21:2221:22, 23 May 2023 diff hist −103‎ Particle Shape Calculator for CCDC/Mercury ‎ →‎BFDH
• 21:2121:21, 23 May 2023 diff hist +8‎ Particle Shape Calculator for CCDC/Mercury ‎ →‎BFDH
• 21:2021:20, 23 May 2023 diff hist 0‎ Particle Shape Calculator for CCDC/Mercury ‎ →‎VisualHabit