Thursday, June 16, 2016

Planned papers (update 2)

Overall progress on my planned manuscripts:
  • the reactivity of P450 compound I towards 1,2-dihydroazaborines: in review
  • electron-transfer to oxygen vs. singlet-triplet crossings in a cofactor-free dioxygenase  submitted to PeerJ on June 16th
  • the influence of solute-solvent dispersion/repulsion interactions on the behavior of molecular torsion balances.  No progress since last update. I doubt this could ever become publishable :-(
  • the binding of rubromycin derivatives to telomerase and DNA polymerase. Analysis of the last 100 ns MD mostly complete
  • analysis of molecular determinants of inhibitor binding to monoamine oxidases A and B Analysis of the MD simulations almost complete
  • the reaction mechanism of copper-catalyzed addition of azides to iodoalkynes. No progress since last update
  • the reaction mechanism of copper-catalyzed aldol synthesis described by Marek No progress since last update
  • reactivity of MerB towards p-block organometallic compounds No progress since last update
  • computational develoment of lead compunds for inhibition of plasmid-borne DHFR No progress since last update 
  • computational development of inhibitors of anthrax protective antigen cleavage by furin.  No progress since last update
     
     

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