A theoretical study of monomeric polyglutamine chains from molecular dynamics simulations with explicit water
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DOI: 10.1007/s00214-017-2172-1
Abstract: Polyglutamine peptides with an abnormal repeat length are the causative agent of at least nine genetic diseases, known as polyglutamine diseases, which include Huntigton’s disease (HD) and some ataxias, in between the others. In the… read more here.
Keywords: simulations explicit; molecular dynamics; study; polyglutamine ... See more keywords
Influence of explicit water molecules on the charge migration dynamics of peptidomimetics: a DFT study
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DOI: 10.1007/s00214-020-02609-9
Abstract: Peptidomimetics are the synthetic analogous of the natural peptides that can act as signal transductors and transfer electrons through intra- and inter-molecular H-bonding interactions. The explicit interaction of the mimetics with aqueous media has been… read more here.
Keywords: solvation; water; water molecules; migration ... See more keywords