Abstract <p>The interaction of a set of amino acids of various types, including neutral, acidic and basic side chains, with surrounding water molecules has attracted our attention. Therefore, the dynamics of hydrogen bonds between water molecules and isolated solvated amino acids were explored to shed light on their effects on the hydration shell flexibility and on how the rotational behaviour of ammonium (–NH₃⁺), carboxylate (–COO⁻) and amino acid side chains are impacted. Static and dynamic analyses, including radial distribution function (RDF), rotational behaviour and probability distribution of these groups, were discussed. The mean square displacement (MSD), the hydrogen bond dynamics, and the average hydrogen bond lifetime (τ_HB) were examined. The results indicated the existence of three hydration zones around ammonium, carboxylate and side chain groups, each exhibiting distinct dynamic behaviour of the hydrogen bonds as well as side-chain rotational behaviour.</p> Graphical Abstract <p></p>