The gas phase standard state (298.15 K, 1 atm) isomerization enthalpy prediction performance of the major semiempirical, ab initio, and density functional levels of theory was investigated using the ...
Researchers have highlighted the possibility that chirality of vitamin-D derivatives can affect the protonation states of histidine residues in the vitamin-D receptor protein via ab initio molecular ...
Ab initio molecular orbital calculations have elucidated that a change in the protonation states of the vitamin-D receptor is induced by altered chirality of vitamin-D derivatives Researchers at ...
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