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About the Design category
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9
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562
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April 1, 2020
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Uppsala MPro inhibitor (JACS 2022 144:2905–2920)
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2
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128
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March 1, 2022
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Potential design themes
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1
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151
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January 10, 2022
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A couple of safety issues
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7
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324
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November 26, 2021
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Polarity of amide NH hydrogen bond donors
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1
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141
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September 11, 2021
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Design implications of P1090 crystal structure (MAT-POS-4223bc15-23)
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3
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227
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September 11, 2021
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Conformational preferences of methoxy in 4- methoxychromane
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1
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154
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May 10, 2021
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Conformations of tetrahydroisoquinoline sulfonamide (e.g. MAT-POS-dd3ad2b5-4)
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2
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187
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April 5, 2021
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Using IC50 at fixed time point to assess irreversible inhibitors
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0
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207
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December 8, 2020
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Non-covalent Ugi crystal structures?
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2
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237
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November 27, 2020
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Merging 3-aminopyridine and quinolone series using dihydrouracil linker
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2
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271
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November 16, 2020
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SAR analysis for 3-aminopyridine-like inhibitors
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4
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370
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November 13, 2020
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New paper PLPro inhibs
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1
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266
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October 17, 2020
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SAHH inhibitors
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0
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176
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September 22, 2020
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Tour of Learning from Docking, modelling and crystal structures
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11
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931
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September 17, 2020
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Chemical space projections
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2
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232
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August 9, 2020
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I'm not a chemist, but
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2
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377
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August 3, 2020
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Ranking covalent submissions
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8
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571
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July 23, 2020
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Peptidelike inhibitor 3CLpro-1
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0
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220
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July 11, 2020
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Chloro-Methyl-Imidazoles
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0
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193
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June 24, 2020
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Cys145 covalent inhibition
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1
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321
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June 17, 2020
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Choice of Covalent Warheads
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2
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310
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June 14, 2020
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Indole ring in SMILES
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5
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668
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June 10, 2020
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Fragment 397 conformation
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3
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393
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June 9, 2020
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Upload of GOLD top ranked poses of Noncovalent Designs
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3
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307
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May 14, 2020
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WaterMap of TRY-UNI-714-6
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0
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250
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May 11, 2020
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Docking and scoring of submitted compounds (model #2408)
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10
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411
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May 6, 2020
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Providing computed poses for others to look at
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9
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889
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May 5, 2020
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Docking and scoring of submitted compounds (model #4853)
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0
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252
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May 5, 2020
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Docking and scoring of submitted compounds (model #4839)
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0
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203
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May 5, 2020
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