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Fragment-based screen against HIV protease.
Perryman AL, Zhang Q, Soutter HH, Rosenfeld R, McRee DE, Olson AJ, Elder JE, Stout CD. Perryman AL, et al. Among authors: olson aj. Chem Biol Drug Des. 2010 Mar;75(3):257-68. doi: 10.1111/j.1747-0285.2009.00943.x. Epub 2010 Jan 19. Chem Biol Drug Des. 2010. PMID: 20659109 Free PMC article.
Virtual screening with AutoDock Vina and the common pharmacophore engine of a low diversity library of fragments and hits against the three allosteric sites of HIV integrase: participation in the SAMPL4 protein-ligand binding challenge.
Perryman AL, Santiago DN, Forli S, Martins DS, Olson AJ. Perryman AL, et al. Among authors: olson aj. J Comput Aided Mol Des. 2014 Apr;28(4):429-441. doi: 10.1007/s10822-014-9709-3. Epub 2014 Feb 4. J Comput Aided Mol Des. 2014. PMID: 24493410 Free PMC article.
Blind prediction of HIV integrase binding from the SAMPL4 challenge.
Mobley DL, Liu S, Lim NM, Wymer KL, Perryman AL, Forli S, Deng N, Su J, Branson K, Olson AJ. Mobley DL, et al. Among authors: olson aj. J Comput Aided Mol Des. 2014 Apr;28(4):327-45. doi: 10.1007/s10822-014-9723-5. Epub 2014 Mar 5. J Comput Aided Mol Des. 2014. PMID: 24595873 Free PMC article. Review.
180 results