Understanding the quantum mechanical properties of hydrogen bonds in solvated biomolecules from cluster calculations
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DOI: 10.1016/j.molliq.2018.05.011
Abstract: Abstract Here we use a combination of molecular mechanics force fields and high level ab initio calculations to study hydrogen bonding interactions in small hybrid peptide-water clusters relevant for larger biological aggregates. Potential energy surfaces… read more here.
Keywords: understanding quantum; hydrogen bonds; properties hydrogen; bonds solvated ... See more keywords