Polarization effects and charge transfer in the KcsA potassium channel
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The C2-sym. electron-poor ligand (R)-BINOP-F (4; (R)-2,2'-[bis(pentafluorophenyl)phosphinoxy]-1,1'-binaphthalene) was prepd. by reaction of (R)-BINOL ((R)-1,1'-binaphthalene-2,2'-diol) with bromobis(pentafluorophenyl)phosphine in the presence of NEt3. The ...
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This thesis describes the application of the quantum mechanics/molecular mechanics (QM/MM) Car-Parrinello methodology to two systems of high biological interest: (a) The potassium channel KcsA from Streptomyces lividans and (b) The DNA repair enzyme EndoIV ...
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