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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. 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.
Non-classical transpeptidases yield insight into new antibacterials.
Kumar P, Kaushik A, Lloyd EP, Li SG, Mattoo R, Ammerman NC, Bell DT, Perryman AL, Zandi TA, Ekins S, Ginell SL, Townsend CA, Freundlich JS, Lamichhane G. Kumar P, et al. Among authors: perryman al. Nat Chem Biol. 2017 Jan;13(1):54-61. doi: 10.1038/nchembio.2237. Epub 2016 Nov 7. Nat Chem Biol. 2017. PMID: 27820797 Free PMC article.
Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
Kumar P, Capodagli GC, Awasthi D, Shrestha R, Maharaja K, Sukheja P, Li SG, Inoyama D, Zimmerman M, Ho Liang HP, Sarathy J, Mina M, Rasic G, Russo R, Perryman AL, Richmann T, Gupta A, Singleton E, Verma S, Husain S, Soteropoulos P, Wang Z, Morris R, Porter G, Agnihotri G, Salgame P, Ekins S, Rhee KY, Connell N, Dartois V, Neiditch MB, Freundlich JS, Alland D. Kumar P, et al. Among authors: perryman al. mBio. 2018 Dec 18;9(6):e02101-17. doi: 10.1128/mBio.02101-17. mBio. 2018. PMID: 30563908 Free PMC article.
42 results