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Journal of the American Chemical Society
|
March 18, 2005
Factors governing the substitution of La3+ for Ca2+ and Mg2+ in metalloproteins: a DFT/CDM study
Todor Dudev, Li-Ying Chang, Carmay Lim
Journal of the American Chemical Society
|
April 13, 2013
Differential role of the protein matrix on the binding of a catalytic aspartate to Mg2+ vs Ca2+: application to ribonuclease H
C Satheesan Babu, Todor Dudev, Carmay Lim
Journal of the American Chemical Society
|
February 29, 2008
Mononuclear versus binuclear metal-binding sites: metal-binding affinity and selectivity from PDB survey and DFT/CDM calculations
Tsung-Ying Yang, Todor Dudev, Carmay Lim
The Journal of Physical Chemistry. B
|
February 14, 2006
Factors governing the metal coordination number in metal complexes from Cambridge Structural Database analyses
Minko Dudev, Jonathan Wang, Todor Dudev, et al.
The Journal of Physical Chemistry. B
|
May 9, 2025
The Role of Axial Ligand in Determining the Mg<sup>2+</sup>/TM<sup>2+</sup> (TM = Fe, Mn, Cu, Zn) Selectivity in Chlorophyll
Nikoleta Kircheva, Silvia Angelova, Valya Nikolova, et al.
Inorganic Chemistry
|
January 31, 2017
Factors Governing the Host-Guest Interactions between IIA/IIB Group Metal Cations and α-Cyclodextrin: A DFT/CDM Study
Silvia Angelova, Valia Nikolova, Nevse Molla, et al.
Biomolecules
|
June 26, 2026
DFT Evaluation of Metal Ion Selectivity in Protein Phosphatase PPM1A: The Effect of Native Metal Type and Multiplicity on the Competition with Other Biogenic Contenders for the Active Site
Nikoleta Kircheva, Vladislava Petkova, Silvia Angelova, et al.
Molecules (Basel, Switzerland)
|
January 21, 2022
A DFT/PCM Study on the Affinity of Salinomycin to Bind Monovalent Metal Cations
Todor Dudev, Diana Cheshmedzhieva, Peter Dorkov, et al.
The Journal of Physical Chemistry. B
|
June 16, 2023
Protein Ca<sup>2+</sup>-Sites Prone to Sr<sup>2+</sup> Substitution: Implications for Strontium Therapy
Karine Mazmanian, Cédric Grauffel, Todor Dudev, et al.
The Journal of Physical Chemistry. B
|
February 18, 2016
Gallium as a Therapeutic Agent: A Thermodynamic Evaluation of the Competition between Ga(3+) and Fe(3+) Ions in Metalloproteins
Valia Nikolova, Silvia Angelova, Nikoleta Markova, et al.
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Search research articles
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Showing results (41-50 of 92) with videos related to
Sort By:
Page
of 10
Journal of the American Chemical Society
|
March 18, 2005
Factors governing the substitution of La3+ for Ca2+ and Mg2+ in metalloproteins: a DFT/CDM study
Todor Dudev, Li-Ying Chang, Carmay Lim
Journal of the American Chemical Society
|
April 13, 2013
Differential role of the protein matrix on the binding of a catalytic aspartate to Mg2+ vs Ca2+: application to ribonuclease H
C Satheesan Babu, Todor Dudev, Carmay Lim
Journal of the American Chemical Society
|
February 29, 2008
Mononuclear versus binuclear metal-binding sites: metal-binding affinity and selectivity from PDB survey and DFT/CDM calculations
Tsung-Ying Yang, Todor Dudev, Carmay Lim
The Journal of Physical Chemistry. B
|
February 14, 2006
Factors governing the metal coordination number in metal complexes from Cambridge Structural Database analyses
Minko Dudev, Jonathan Wang, Todor Dudev, et al.
The Journal of Physical Chemistry. B
|
May 9, 2025
The Role of Axial Ligand in Determining the Mg<sup>2+</sup>/TM<sup>2+</sup> (TM = Fe, Mn, Cu, Zn) Selectivity in Chlorophyll
Nikoleta Kircheva, Silvia Angelova, Valya Nikolova, et al.
Inorganic Chemistry
|
January 31, 2017
Factors Governing the Host-Guest Interactions between IIA/IIB Group Metal Cations and α-Cyclodextrin: A DFT/CDM Study
Silvia Angelova, Valia Nikolova, Nevse Molla, et al.
Biomolecules
|
June 26, 2026
DFT Evaluation of Metal Ion Selectivity in Protein Phosphatase PPM1A: The Effect of Native Metal Type and Multiplicity on the Competition with Other Biogenic Contenders for the Active Site
Nikoleta Kircheva, Vladislava Petkova, Silvia Angelova, et al.
Molecules (Basel, Switzerland)
|
January 21, 2022
A DFT/PCM Study on the Affinity of Salinomycin to Bind Monovalent Metal Cations
Todor Dudev, Diana Cheshmedzhieva, Peter Dorkov, et al.
The Journal of Physical Chemistry. B
|
June 16, 2023
Protein Ca<sup>2+</sup>-Sites Prone to Sr<sup>2+</sup> Substitution: Implications for Strontium Therapy
Karine Mazmanian, Cédric Grauffel, Todor Dudev, et al.
The Journal of Physical Chemistry. B
|
February 18, 2016
Gallium as a Therapeutic Agent: A Thermodynamic Evaluation of the Competition between Ga(3+) and Fe(3+) Ions in Metalloproteins
Valia Nikolova, Silvia Angelova, Nikoleta Markova, et al.
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of 10