|
About the Design category
|
|
9
|
350
|
April 1, 2020
|
|
Using IC50 at fixed time point to assess irreversible inhibitors
|
|
0
|
73
|
December 8, 2020
|
|
Non-covalent Ugi crystal structures?
|
|
2
|
85
|
November 27, 2020
|
|
Merging 3-aminopyridine and quinolone series using dihydrouracil linker
|
|
2
|
100
|
November 16, 2020
|
|
SAR analysis for 3-aminopyridine-like inhibitors
|
|
4
|
114
|
November 13, 2020
|
|
New paper PLPro inhibs
|
|
1
|
95
|
October 17, 2020
|
|
SAHH inhibitors
|
|
0
|
56
|
September 22, 2020
|
|
Tour of Learning from Docking, modelling and crystal structures
|
|
11
|
560
|
September 17, 2020
|
|
Chemical space projections
|
|
2
|
115
|
August 9, 2020
|
|
I'm not a chemist, but
|
|
2
|
227
|
August 3, 2020
|
|
Ranking covalent submissions
|
|
8
|
316
|
July 23, 2020
|
|
Peptidelike inhibitor 3CLpro-1
|
|
0
|
81
|
July 11, 2020
|
|
Chloro-Methyl-Imidazoles
|
|
0
|
82
|
June 24, 2020
|
|
Cys145 covalent inhibition
|
|
1
|
94
|
June 17, 2020
|
|
Choice of Covalent Warheads
|
|
2
|
146
|
June 14, 2020
|
|
Indole ring in SMILES
|
|
5
|
233
|
June 10, 2020
|
|
Fragment 397 conformation
|
|
3
|
174
|
June 9, 2020
|
|
Upload of GOLD top ranked poses of Noncovalent Designs
|
|
3
|
170
|
May 14, 2020
|
|
WaterMap of TRY-UNI-714-6
|
|
0
|
123
|
May 11, 2020
|
|
Docking and scoring of submitted compounds (model #2408)
|
|
10
|
230
|
May 6, 2020
|
|
Providing computed poses for others to look at
|
|
9
|
475
|
May 5, 2020
|
|
Docking and scoring of submitted compounds (model #4853)
|
|
0
|
140
|
May 5, 2020
|
|
Docking and scoring of submitted compounds (model #4839)
|
|
0
|
97
|
May 5, 2020
|
|
Cysteine proteases from ReFrame Library Repurposing Screen
|
|
5
|
206
|
April 29, 2020
|
|
Protonation States of SARS-CoV-2
|
|
6
|
528
|
April 29, 2020
|
|
New review on covid19 strategies
|
|
0
|
113
|
April 29, 2020
|
|
Call 2 - MedChem Selection - docking results
|
|
2
|
203
|
April 22, 2020
|
|
Docking and MD/MMGBSA rescoring of covalent warheads
|
|
0
|
153
|
April 19, 2020
|
|
ADMET predictions
|
|
4
|
175
|
April 19, 2020
|
|
Central point for Scoring and Docking
|
|
16
|
621
|
April 17, 2020
|
