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Scaffold topologies. 2. Analysis of chemical databases.
Wester MJ, Pollock SN, Coutsias EA, Allu TK, Muresan S, Oprea TI. Wester MJ, et al. J Chem Inf Model. 2008 Jul;48(7):1311-24. doi: 10.1021/ci700342h. Epub 2008 Jul 8. J Chem Inf Model. 2008. PMID: 18605681 Free PMC article.
Scaffold topologies. 1. Exhaustive enumeration up to eight rings.
Pollock SN, Coutsias EA, Wester MJ, Oprea TI. Pollock SN, et al. Among authors: wester mj. J Chem Inf Model. 2008 Jul;48(7):1304-10. doi: 10.1021/ci7003412. Epub 2008 Jul 8. J Chem Inf Model. 2008. PMID: 18605680 Free PMC article.
RMSD and Symmetry.
Coutsias EA, Wester MJ. Coutsias EA, et al. Among authors: wester mj. J Comput Chem. 2019 Jun 5;40(15):1496-1508. doi: 10.1002/jcc.25802. Epub 2019 Mar 3. J Comput Chem. 2019. PMID: 30828834
Mannan Molecular Substructures Control Nanoscale Glucan Exposure in Candida.
Graus MS, Wester MJ, Lowman DW, Williams DL, Kruppa MD, Martinez CM, Young JM, Pappas HC, Lidke KA, Neumann AK. Graus MS, et al. Among authors: wester mj. Cell Rep. 2018 Aug 28;24(9):2432-2442.e5. doi: 10.1016/j.celrep.2018.07.088. Cell Rep. 2018. PMID: 30157435 Free PMC article.
26 results