Molecular Mechanics (MM) Force Fields for Modelling of Copper(II) Amino Acid Complexes in Different Environments

2009 ◽  
Author(s):  
Jasmina Sabolović ◽  
Dong-Qing Wei ◽  
Xi-Jun Wang
Keyword(s):  
Amino Acid ◽  
Molecular Mechanics ◽  
Force Fields ◽  
Amino Acid Complexes

Potentiometric study of enantioselective effects in α-amino acid complexes of copper(II)

1985 ◽  
Vol 104 (1) ◽  
pp. 63-67 ◽  
Author(s):  
I.L. Ulanovski ◽  
A.A. Kurganov ◽  
V.A. Davankov
Keyword(s):  
Amino Acid ◽  
Potentiometric Study ◽  
Amino Acid Complexes

Automated Parametrization of Biomolecular Force Fields from Quantum Mechanics/Molecular Mechanics (QM/MM) Simulations through Force Matching

2007 ◽  
Vol 3 (2) ◽  
pp. 628-639 ◽  
Author(s):  
Patrick Maurer ◽  
Alessandro Laio ◽  
Håkan W. Hugosson ◽  
Maria Carola Colombo ◽  
Ursula Rothlisberger
Keyword(s):  
Quantum Mechanics ◽  
Molecular Mechanics ◽  
Force Fields ◽  
Force Matching

scholarly journals Synthesis, Characterization, and Non-Covalent Interactions of Palladium(II)-Amino Acid Complexes

Molecules ◽  
2021 ◽  
Vol 26 (14) ◽  
pp. 4331
Author(s):  
David B. Hobart ◽  
Michael A. G. Berg ◽  
Hannah M. Rogers ◽  
Joseph S. Merola
Keyword(s):  
Amino Acid ◽  
High Resolution Mass Spectrometry ◽  
Resonance Spectroscopy ◽  
Spectroscopic Techniques ◽  
X Ray Diffraction ◽  
Amino Acid Complexes ◽  
Acetone Water ◽  
Square Planar ◽  
Non Covalent Interactions ◽  
Covalent Interactions

The reaction of palladium(II) acetate with acyclic amino acids in acetone/water yields square planar bis-chelated palladium amino acid complexes that exhibit interesting non-covalent interactions. In all cases, complexes were examined by multiple spectroscopic techniques, especially HRMS (high resolution mass spectrometry), IR (infrared spectroscopy), and 1H NMR (nuclear magnetic resonance) spectroscopy. In some cases, suitable crystals for single crystal X-ray diffraction were able to be grown and the molecular structure was obtained. The molecular geometries of the products are discussed. Except for the alanine complex, all complexes incorporate water molecules into the extended lattice and exhibit N-H···O and/or O···(HOH)···O hydrogen bonding interactions. The non-covalent interactions are discussed in terms of the extended lattice structures exhibited by the structures.

Ternary chromium(III)-nucleotide-amino acid complexes III. L-Glutamic acid derivatives

1989 ◽  
Vol 165 (1) ◽  
pp. 131-137 ◽  
Author(s):  
M. Vicens ◽  
J.J. Fiol ◽  
A. Terron ◽  
V. Moreno
Keyword(s):  
Amino Acid ◽  
Glutamic Acid ◽  
Amino Acid Complexes ◽  
Glutamic Acid Derivatives

Equilibrium constants of metal amino acid complexes

Polyhedron ◽  
1990 ◽  
Vol 9 (5) ◽  
pp. 665-668 ◽  
Author(s):  
F. Rey ◽  
J.M. Antelo ◽  
F. Arce ◽  
F.J. Penedo
Keyword(s):  
Amino Acid ◽  
Equilibrium Constants ◽  
Amino Acid Complexes

Synthesis and properties of Zn(II)-salicylidene amino acid complexes

1987 ◽  
Vol 118 (11) ◽  
pp. 1289-1296 ◽  
Author(s):  
M. R. Mahmoud ◽  
S. A. El-Gyar ◽  
A. Shaker ◽  
A. M. Abdel-Mawgoud
Keyword(s):  
Amino Acid ◽  
Amino Acid Complexes
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