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@emedemaur @GTribello @BussiGio @BonomiMax @plumed_org Yes, it can :) It will very likely return a transition that is mechanistically wrong, but once you have that, there are ways to improve the path: https://t.co/D6o0SlUXf2
@emedemaur @GTribello @BussiGio @BonomiMax @plumed_org Yes, it can :) It will very likely return a transition that is mechanistically wrong, but once you have that, there are ways to improve the path: https://t.co/D6o0SlUXf2
@joaquinbarroso @LatinXChem @thorvanheesch @BerndEnsing A2: Yes! We studied Watson-Crick-to-Hoogsteen base-pairing transitions for which there's experimental evidence https://t.co/n3mNItlyjI. The free-energy barrier (~16 kcal/mol) makes them inaccesible in