ArticleJournal of molecular modeling2011
Effect of metal Ions (Ni²⁺, Cu²⁺ and Zn²⁺) and water coordination on the structure of L-phenylalanine, L-tyrosine, L-tryptophan and their zwitterionic forms.
Article in Journal of molecular modeling, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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Who cites it
16 citing papers in PubMed.
- One-Pot Green Synthesis of Amino Acid-Capped Gold Nanoparticles for Selective Sensing of Cyanide and Heavy Metals.ACS omega · 2026Article
- Characterization of the Binding Modes of CuInternational journal of molecular sciences · 2025Article
- Sorption of Heavy Metals (Pb, Cd, Co, and Zn) by Bacteria of the GenusInternational journal of microbiology · 2025Article
- The aromatic amino acid phenylalanine: a versatile tool for binding transition metal ions.Journal of molecular modeling · 2024Article
- Tripeptide-Assisted Gold Nanocluster Formation for FeMolecules (Basel, Switzerland) · 2024Article
- Article
- The Role of the CuCl Active Complex in the Stereoselectivity of the Salt-Induced Peptide Formation Reaction: Insights from Density Functional Theory Calculations.Life (Basel, Switzerland) · 2023Article
- Transition metal ions and neurotransmitters: coordination chemistry and implications for neurodegeneration.RSC chemical biology · 2023Review
- Interaction of Cysteine with LiACS omega · 2022Article
- Colorimetric detection of magnesium (II) ions using tryptophan functionalized gold nanoparticles.Scientific reports · 2017Article
- An insight into the interaction of L-proline with the transition metal cations Fe(2+), Co(2+), Ni(2+): a gas phase theoretical study.Journal of molecular modeling · 2016Article
- Affinity of Smectite and Divalent Metal Ions (Mg(2+), Ca(2+), Cu(2+)) with L-leucine: An Experimental and Theoretical Approach Relevant to Astrobiology.Origins of life and evolution of the biosphere : the journal of the International Society for the Study of the Origin of Life · 2015Article
- Zwitterionic conformers of pyrrolysine and their interactions with metal ions--a theoretical study.Journal of molecular modeling · 2013Article
- A quantum-chemical study of the binding ability of βXaaHisGlyHis towards copper(II) ion.Journal of molecular modeling · 2012Article
- Effect of water coordination on competition between π and non-π cation binding sites in aromatic amino acids: L-phenylalanine, L-tyrosine, and L-tryptophan Li+, Na +, and K+ complexes.Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry · 2012Article
- A computational study of calcium(II) and copper(II) ion binding to the hyaluronate molecule.International journal of molecular sciences · 2012Article
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4 authors.
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Abstract
Methods of quantum chemistry have been applied to double-charged complexes involving the transition metals Ni(2+), Cu(2+) and Zn(2+) with the aromatic amino acids (AAA) phenylalanine, tyrosine and tryptophan. The effect of hydration on the relative stability and geometry of the individual species studied has been evaluated within the supermolecule approach. The interaction enthalpies, entropies and Gibbs energies of nine complexes Phe•M, Tyr•M, Trp•M, (M = Ni(2+), Cu(2+) and Zn(2+)) were determined at the Becke3LYP density functional level of theory. Of the transition metals studied the bivalent copper cation forms the strongest complexes with AAAs. For Ni(2+)and Cu(2+) the most stable species are the NO coordinated cations in the AAA metal complexes, Zn(2+)cation prefers a binding to the aromatic part of the AAA (complex II). Some complexes energetically unfavored in the gas-phase are stabilized upon microsolvation.
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