|
About the Design category
|
|
9
|
767
|
April 1, 2020
|
|
Any plans for future open source drug design programs?
|
|
0
|
96
|
November 10, 2023
|
|
New review on covid19 strategies
|
|
1
|
411
|
December 11, 2022
|
|
Uppsala MPro inhibitor (JACS 2022 144:2905–2920)
|
|
2
|
342
|
March 1, 2022
|
|
Potential design themes
|
|
1
|
316
|
January 10, 2022
|
|
A couple of safety issues
|
|
7
|
569
|
November 26, 2021
|
|
Polarity of amide NH hydrogen bond donors
|
|
1
|
420
|
September 11, 2021
|
|
Design implications of P1090 crystal structure (MAT-POS-4223bc15-23)
|
|
3
|
455
|
September 11, 2021
|
|
Conformational preferences of methoxy in 4- methoxychromane
|
|
1
|
306
|
May 10, 2021
|
|
Conformations of tetrahydroisoquinoline sulfonamide (e.g. MAT-POS-dd3ad2b5-4)
|
|
2
|
341
|
April 5, 2021
|
|
Using IC50 at fixed time point to assess irreversible inhibitors
|
|
0
|
347
|
December 8, 2020
|
|
Non-covalent Ugi crystal structures?
|
|
2
|
361
|
November 27, 2020
|
|
Merging 3-aminopyridine and quinolone series using dihydrouracil linker
|
|
2
|
438
|
November 16, 2020
|
|
SAR analysis for 3-aminopyridine-like inhibitors
|
|
4
|
831
|
November 13, 2020
|
|
New paper PLPro inhibs
|
|
1
|
405
|
October 17, 2020
|
|
SAHH inhibitors
|
|
0
|
297
|
September 22, 2020
|
|
Tour of Learning from Docking, modelling and crystal structures
|
|
11
|
1263
|
September 17, 2020
|
|
Chemical space projections
|
|
2
|
384
|
August 9, 2020
|
|
I'm not a chemist, but
|
|
2
|
511
|
August 3, 2020
|
|
Ranking covalent submissions
|
|
8
|
760
|
July 23, 2020
|
|
Peptidelike inhibitor 3CLpro-1
|
|
0
|
385
|
July 11, 2020
|
|
Chloro-Methyl-Imidazoles
|
|
0
|
319
|
June 24, 2020
|
|
Cys145 covalent inhibition
|
|
1
|
460
|
June 17, 2020
|
|
Choice of Covalent Warheads
|
|
2
|
511
|
June 14, 2020
|
|
Indole ring in SMILES
|
|
5
|
1047
|
June 10, 2020
|
|
Fragment 397 conformation
|
|
3
|
611
|
June 9, 2020
|
|
Upload of GOLD top ranked poses of Noncovalent Designs
|
|
3
|
475
|
May 14, 2020
|
|
WaterMap of TRY-UNI-714-6
|
|
0
|
439
|
May 11, 2020
|
|
Docking and scoring of submitted compounds (model #2408)
|
|
10
|
601
|
May 6, 2020
|
|
Providing computed poses for others to look at
|
|
9
|
1314
|
May 5, 2020
|