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About the Design category
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9
|
405
|
April 1, 2020
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|
A couple of safety issues
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3
|
73
|
July 29, 2021
|
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Conformational preferences of methoxy in 4- methoxychromane
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1
|
53
|
May 10, 2021
|
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Conformations of tetrahydroisoquinoline sulfonamide (e.g. MAT-POS-dd3ad2b5-4)
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2
|
87
|
April 5, 2021
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Using IC50 at fixed time point to assess irreversible inhibitors
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0
|
105
|
December 8, 2020
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Non-covalent Ugi crystal structures?
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|
2
|
152
|
November 27, 2020
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Merging 3-aminopyridine and quinolone series using dihydrouracil linker
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|
2
|
142
|
November 16, 2020
|
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SAR analysis for 3-aminopyridine-like inhibitors
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4
|
180
|
November 13, 2020
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New paper PLPro inhibs
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|
1
|
155
|
October 17, 2020
|
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SAHH inhibitors
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0
|
85
|
September 22, 2020
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|
Tour of Learning from Docking, modelling and crystal structures
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|
11
|
681
|
September 17, 2020
|
|
Chemical space projections
|
|
2
|
139
|
August 9, 2020
|
|
I'm not a chemist, but
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|
2
|
261
|
August 3, 2020
|
|
Ranking covalent submissions
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|
8
|
399
|
July 23, 2020
|
|
Peptidelike inhibitor 3CLpro-1
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|
0
|
108
|
July 11, 2020
|
|
Chloro-Methyl-Imidazoles
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0
|
110
|
June 24, 2020
|
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Cys145 covalent inhibition
|
|
1
|
131
|
June 17, 2020
|
|
Choice of Covalent Warheads
|
|
2
|
190
|
June 14, 2020
|
|
Indole ring in SMILES
|
|
5
|
428
|
June 10, 2020
|
|
Fragment 397 conformation
|
|
3
|
259
|
June 9, 2020
|
|
Upload of GOLD top ranked poses of Noncovalent Designs
|
|
3
|
217
|
May 14, 2020
|
|
WaterMap of TRY-UNI-714-6
|
|
0
|
152
|
May 11, 2020
|
|
Docking and scoring of submitted compounds (model #2408)
|
|
10
|
290
|
May 6, 2020
|
|
Providing computed poses for others to look at
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|
9
|
582
|
May 5, 2020
|
|
Docking and scoring of submitted compounds (model #4853)
|
|
0
|
173
|
May 5, 2020
|
|
Docking and scoring of submitted compounds (model #4839)
|
|
0
|
120
|
May 5, 2020
|
|
Cysteine proteases from ReFrame Library Repurposing Screen
|
|
5
|
264
|
April 29, 2020
|
|
Protonation States of SARS-CoV-2
|
|
6
|
616
|
April 29, 2020
|
|
New review on covid19 strategies
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|
0
|
137
|
April 29, 2020
|
|
Call 2 - MedChem Selection - docking results
|
|
2
|
242
|
April 22, 2020
|
