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Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor:	5-chloranyl-4-methyl-1,3-benzothiazol-2-amine, ACETATE ION, GLYCEROL, ...
Authors:	Peat, T.S.
Deposit date:	2013-12-23
Release date:	2014-01-22
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (1.95 Å)
Cite:	Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014

Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor:	5-[[(1S,2S)-2-(6-azanylhexanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, INTEGRASE, ...
Authors:	Peat, T.S.
Deposit date:	2013-11-25
Release date:	2013-12-04
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (2.07 Å)
Cite:	Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014

Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor:	1,2-ETHANEDIOL, 2-(1,3-benzodioxol-4-ylcarbonylamino)ethanoic acid, ACETATE ION, ...
Authors:	Peat, T.S.
Deposit date:	2013-12-04
Release date:	2013-12-11
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (2 Å)
Cite:	Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014

Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Descriptor:	5-[(2S)-2-[[(4-aminophenyl)carbonylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, CHLORIDE ION, ...
Authors:	Peat, T.S.
Deposit date:	2013-12-19
Release date:	2014-01-08
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (1.95 Å)
Cite:	Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge. J.Comput.Aided Mol.Des., 28, 2014