Selected article for: "mode analysis and normal mode analysis"
Author: Glantz-Gashai, Yitav; Meirson, Tomer; Reuveni, Eli; Samson, Abraham O
Title: Virtual screening for potential inhibitors of Mcl-1 conformations sampled by normal modes, molecular dynamics, and nuclear magnetic resonance
  • Document date: 2017_6_19
    • ID: 47srfqzl_51
    Snippet: Drug ranking of the 1,790 FDA-approved drugs in the NMR ensemble and in the MD conformations correlates well with a Pearson's correlation coefficient of 0.87. Drug Notes: shown is a 3D scatter plot of the drug rank in the three conformation families. each axis enumerates the drug rank in the nMr, nMa, and MD conformations, respectively. each point represents one of the 1,790 FDa-approved drugs and is colored according to its rank. Top ranking dru.....
    Document: Drug ranking of the 1,790 FDA-approved drugs in the NMR ensemble and in the MD conformations correlates well with a Pearson's correlation coefficient of 0.87. Drug Notes: shown is a 3D scatter plot of the drug rank in the three conformation families. each axis enumerates the drug rank in the nMr, nMa, and MD conformations, respectively. each point represents one of the 1,790 FDa-approved drugs and is colored according to its rank. Top ranking drugs are colored red, and bottom ranking drugs are colored blue. Abbreviations: FDa, Food and Drug administration; nMr, nuclear magnetic resonance; nMa, normal mode analysis; MD, molecular dynamics; 3D, threedimensional.

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