|
Instructions around the Docking Results category
|
|
4
|
1088
|
May 18, 2020
|
|
Folding@home Sprint 5
|
|
4
|
910
|
January 16, 2021
|
|
Model for ranking compound by MW?
|
|
1
|
866
|
October 7, 2020
|
|
Folding@home Sprint 4
|
|
0
|
419
|
September 17, 2020
|
|
OEDocking docking/scoring/selection of submitted compounds (model #02084)
|
|
6
|
2224
|
August 14, 2020
|
|
Fragmenstein: assessing fidelty to hits
|
|
13
|
1975
|
August 5, 2020
|
|
Custom docking protocol combining CReM and AutoDock Vina
|
|
7
|
2623
|
July 6, 2020
|
|
Fragmenstein: merging
|
|
14
|
2187
|
July 2, 2020
|
|
WaterMaps available
|
|
0
|
433
|
June 22, 2020
|
|
GOLD Docking Results of Non-covalent designs
|
|
5
|
1552
|
June 22, 2020
|
|
Submission --> sites
|
|
0
|
488
|
June 11, 2020
|
|
THINK docking and scoring of ChemBridge Express-Pick Commercial Collection
|
|
5
|
590
|
June 5, 2020
|
|
Temporary fix for visualisation (Michelanglo)
|
|
0
|
527
|
May 27, 2020
|
|
Covalent attachments with "*"
|
|
1
|
723
|
May 22, 2020
|
|
THINK Docking of some known Drugs
|
|
2
|
524
|
May 21, 2020
|
|
Instructions For Selecting Non Covalent Ideas For Synthesis By Wednesday 20th May
|
|
6
|
731
|
May 20, 2020
|
|
THINK docking and scoring of fragments (to 13 May2020)
|
|
4
|
486
|
May 20, 2020
|
|
Updated submission for FoldingAtHome absolute FEP of non-covalent bound Mpro structures
|
|
0
|
577
|
May 20, 2020
|
|
Docking result for an updated submission: EDJ-MED-c9f55a56
|
|
0
|
404
|
May 19, 2020
|
|
Ensemble-hybrid-oedocking: Ensemble hybrid docking to fragment-bound Mpro structures
|
|
4
|
1070
|
May 19, 2020
|
|
FoldingAtHome absolute FEP from ligands docked to fragment-bound Mpro structures
|
|
2
|
1131
|
May 13, 2020
|
|
Results from Nwat-MMGBSA workflow on covalent warheads
|
|
6
|
857
|
May 13, 2020
|
|
ADMET predictions for moonshot compounds
|
|
0
|
481
|
May 11, 2020
|
|
Quarantine@Home
|
|
2
|
592
|
May 6, 2020
|