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Journal of Biomolecular Structure & Dynamics
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May 17, 2022
<i>In silico</i> insights into the dimer structure and deiodinase activity of type III iodothyronine deiodinase from bioinformatics, molecular dynamics simulations, and QM/MM calculations
Eric S Marsan, Ana Dreab, Craig A Bayse
Chemical Research in Toxicology
|
November 19, 2014
Thiol reduction of arsenite and selenite: DFT modeling of the pathways to an as-se bond
Lenora K Harper, Sonia Antony, Craig A Bayse
Journal of Inorganic Biochemistry
|
January 18, 2019
DFT modeling of the prevention of Fe(II)-mediated redox damage by imidazole-based thiones and selones
Ana Dreab, Matthew I Brewer, Craig A Bayse
Dalton Transactions (Cambridge, England : 2003)
|
March 9, 2011
Synthesis, characterization, and DFT studies of thione and selone Cu(I) complexes with variable coordination geometries
Martin M Kimani, Craig A Bayse, Julia L Brumaghim
Inorganic Chemistry
|
December 5, 2008
Photoluminescence of 1-D copper(I) cyanide chains: a theoretical description
Craig A Bayse, Timothy P Brewster, Robert D Pike
Inorganic Chemistry
|
October 23, 2008
Effects of nucleobase metalation on frontier molecular orbitals: potential implications for pi-stacking interactions with tryptophan
Atilio I Anzellotti, Craig A Bayse, Nicholas P Farrell
The Journal of Physical Chemistry. A
|
October 19, 2007
Experimental and theoretical studies of the reactions Y (a2D) + H2CO and Y (a2D) + CH3CHO
Jonathan J Schroden, H Floyd Davis, Craig A Bayse
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 14, 2015
Predicting Trigger Bonds in Explosive Materials through Wiberg Bond Index Analysis
Lenora K Harper, Ashley L Shoaf, Craig A Bayse
The Journal of Physical Chemistry. B
|
February 12, 2025
Determination of Structural Factors Contributing to Protection of Zinc Fingers in Estrogen Receptor α through Molecular Dynamic Simulations
Patricia B Lutz, Wesley R Coombs, Craig A Bayse
Journal of Inorganic Biochemistry
|
January 21, 2015
Sulfur and selenium antioxidants: challenging radical scavenging mechanisms and developing structure-activity relationships based on metal binding
Matthew T Zimmerman, Craig A Bayse, Ria R Ramoutar, et al.
Page
of 6
Search research articles
Search
Showing results (31-40 of 53) with videos related to
Sort By:
Page
of 6
Journal of Biomolecular Structure & Dynamics
|
May 17, 2022
<i>In silico</i> insights into the dimer structure and deiodinase activity of type III iodothyronine deiodinase from bioinformatics, molecular dynamics simulations, and QM/MM calculations
Eric S Marsan, Ana Dreab, Craig A Bayse
Chemical Research in Toxicology
|
November 19, 2014
Thiol reduction of arsenite and selenite: DFT modeling of the pathways to an as-se bond
Lenora K Harper, Sonia Antony, Craig A Bayse
Journal of Inorganic Biochemistry
|
January 18, 2019
DFT modeling of the prevention of Fe(II)-mediated redox damage by imidazole-based thiones and selones
Ana Dreab, Matthew I Brewer, Craig A Bayse
Dalton Transactions (Cambridge, England : 2003)
|
March 9, 2011
Synthesis, characterization, and DFT studies of thione and selone Cu(I) complexes with variable coordination geometries
Martin M Kimani, Craig A Bayse, Julia L Brumaghim
Inorganic Chemistry
|
December 5, 2008
Photoluminescence of 1-D copper(I) cyanide chains: a theoretical description
Craig A Bayse, Timothy P Brewster, Robert D Pike
Inorganic Chemistry
|
October 23, 2008
Effects of nucleobase metalation on frontier molecular orbitals: potential implications for pi-stacking interactions with tryptophan
Atilio I Anzellotti, Craig A Bayse, Nicholas P Farrell
The Journal of Physical Chemistry. A
|
October 19, 2007
Experimental and theoretical studies of the reactions Y (a2D) + H2CO and Y (a2D) + CH3CHO
Jonathan J Schroden, H Floyd Davis, Craig A Bayse
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 14, 2015
Predicting Trigger Bonds in Explosive Materials through Wiberg Bond Index Analysis
Lenora K Harper, Ashley L Shoaf, Craig A Bayse
The Journal of Physical Chemistry. B
|
February 12, 2025
Determination of Structural Factors Contributing to Protection of Zinc Fingers in Estrogen Receptor α through Molecular Dynamic Simulations
Patricia B Lutz, Wesley R Coombs, Craig A Bayse
Journal of Inorganic Biochemistry
|
January 21, 2015
Sulfur and selenium antioxidants: challenging radical scavenging mechanisms and developing structure-activity relationships based on metal binding
Matthew T Zimmerman, Craig A Bayse, Ria R Ramoutar, et al.
Page
of 6