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A dynamic model of HIV integrase inhibition and drug resistance.
Perryman AL, Forli S, Morris GM, Burt C, Cheng Y, Palmer MJ, Whitby K, McCammon JA, Phillips C, Olson AJ. Perryman AL, et al. Among authors: forli s. J Mol Biol. 2010 Mar 26;397(2):600-15. doi: 10.1016/j.jmb.2010.01.033. Epub 2010 Jan 22. J Mol Biol. 2010. PMID: 20096702 Free PMC article.
Cyclin-dependent kinases 5 template: useful for virtual screening.
Pitchuanchom S, Boonyarat C, Forli S, Olson AJ, Yenjai C. Pitchuanchom S, et al. Among authors: forli s. Comput Biol Med. 2012 Jan;42(1):106-11. doi: 10.1016/j.compbiomed.2011.10.014. Epub 2011 Nov 12. Comput Biol Med. 2012. PMID: 22079569
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: forli s. 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: forli s. 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.
88 results