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Journal of Molecular Graphics & Modelling
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September 8, 2005
Assessment of a mechanism for reactive inhibition of carboxypeptidase A with QM/MM methods
Lily Phoon, Neil A Burton
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 8, 2019
Uranyl-Bound Tetra-Dentate Non-Innocent Ligands: Prediction of Structure and Redox Behaviour Using Density Functional Theory
Krishnamoorthy Arumugam, Neil A Burton
Physical Chemistry Chemical Physics : PCCP
|
January 26, 2019
Density functional theory (DFT) calculations of VI/V reduction potentials of uranyl coordination complexes in non-aqueous solutions
Krishnamoorthy Arumugam, Neil A Burton
Inorganic Chemistry
|
November 30, 2021
Disproportionation of the Uranyl(V) Coordination Complexes in Aqueous Solution through Outer-Sphere Electron Transfer
Krishnamoorthy Arumugam, Neil A Burton
The Journal of Physical Chemistry. A
|
January 13, 2006
Structure and redox properties of the protein, rubredoxin, and its ligand and metal mutants studied by electronic structure calculation
Mahesh Sundararajan, Ian H Hillier, Neil A Burton
Journal of Chemical Theory and Computation
|
November 27, 2015
Standard Free Energy of Binding from a One-Dimensional Potential of Mean Force
Slimane Doudou, Neil A Burton, Richard H Henchman
The Journal of Physical Chemistry. B
|
April 26, 2007
Mechanism of nitrite reduction at T2Cu centers: electronic structure calculations of catalysis by copper nitrite reductase and by synthetic model compounds
Mahesh Sundararajan, Ian H Hillier, Neil A Burton
Journal of Chemical Information and Modeling
|
February 5, 2026
Prediction of Charged Small Molecule Conformations in Solution Using a Balanced ML/MM Potential
Christopher D Williams, Neil A Burton, Richard A Bryce
Chemical Communications (Cambridge, England)
|
September 19, 2003
Prediction of the potency of inhibitors of adenosine deaminase by QM/MM calculations
M Paul Gleeson, Neil A Burton, Ian H Hillier
Organic & Biomolecular Chemistry
|
August 12, 2004
Theoretical analysis of peptidyl alpha-ketoheterocyclic inhibitors of human neutrophil elastase: Insight into the mechanism of inhibition and the application of QM/MM calculations in structure-based drug design
M Paul Gleeson, Ian H Hillier, Neil A Burton
Page
of 6
Search research articles
Search
Showing results (1-10 of 51) with videos related to
Sort By:
Page
of 6
Journal of Molecular Graphics & Modelling
|
September 8, 2005
Assessment of a mechanism for reactive inhibition of carboxypeptidase A with QM/MM methods
Lily Phoon, Neil A Burton
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 8, 2019
Uranyl-Bound Tetra-Dentate Non-Innocent Ligands: Prediction of Structure and Redox Behaviour Using Density Functional Theory
Krishnamoorthy Arumugam, Neil A Burton
Physical Chemistry Chemical Physics : PCCP
|
January 26, 2019
Density functional theory (DFT) calculations of VI/V reduction potentials of uranyl coordination complexes in non-aqueous solutions
Krishnamoorthy Arumugam, Neil A Burton
Inorganic Chemistry
|
November 30, 2021
Disproportionation of the Uranyl(V) Coordination Complexes in Aqueous Solution through Outer-Sphere Electron Transfer
Krishnamoorthy Arumugam, Neil A Burton
The Journal of Physical Chemistry. A
|
January 13, 2006
Structure and redox properties of the protein, rubredoxin, and its ligand and metal mutants studied by electronic structure calculation
Mahesh Sundararajan, Ian H Hillier, Neil A Burton
Journal of Chemical Theory and Computation
|
November 27, 2015
Standard Free Energy of Binding from a One-Dimensional Potential of Mean Force
Slimane Doudou, Neil A Burton, Richard H Henchman
The Journal of Physical Chemistry. B
|
April 26, 2007
Mechanism of nitrite reduction at T2Cu centers: electronic structure calculations of catalysis by copper nitrite reductase and by synthetic model compounds
Mahesh Sundararajan, Ian H Hillier, Neil A Burton
Journal of Chemical Information and Modeling
|
February 5, 2026
Prediction of Charged Small Molecule Conformations in Solution Using a Balanced ML/MM Potential
Christopher D Williams, Neil A Burton, Richard A Bryce
Chemical Communications (Cambridge, England)
|
September 19, 2003
Prediction of the potency of inhibitors of adenosine deaminase by QM/MM calculations
M Paul Gleeson, Neil A Burton, Ian H Hillier
Organic & Biomolecular Chemistry
|
August 12, 2004
Theoretical analysis of peptidyl alpha-ketoheterocyclic inhibitors of human neutrophil elastase: Insight into the mechanism of inhibition and the application of QM/MM calculations in structure-based drug design
M Paul Gleeson, Ian H Hillier, Neil A Burton
Page
of 6