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Updated: Sep 27, 2026

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
Published on: July 19, 2019
Conformational landscape surfing induced by off-on pi-pi stacking in a porphyrin-quinone dyad
Daniel J Nurco1, Kevin M Smith, Jack Fajer
1Materials Science Department, Brookhaven National Laboratory, Upton, New York 11973, USA.
Abstract:
A covalently linked porphyrin-quinone dyad crystallizes with two orientations of the quinone, extended away from (off) and cofacial with the porphyrin macrocycle (on), which induce different conformations of the macrocycle and model the recently proposed structural effect of a nearby residue on the heme prosthetic group of a nitric oxide synthase.
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