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Journal of Chemical Theory and Computation
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November 21, 2015
The Development of a Classical Force Field To Determine the Selectivity of an Aqueous Fe(3+)-EDA Complex for TcO4(-) and SO4(2.)
Christopher D Williams, Neil A Burton, Karl P Travis, et al.
Journal of Molecular Biology
|
July 7, 2010
Novel aspects of the acid response network of E. coli K-12 are revealed by a study of transcriptional dynamics
Neil A Burton, Matthew D Johnson, Philipp Antczak, et al.
Journal of Bacteriology
|
May 17, 2011
RcsB is required for inducible acid resistance in Escherichia coli and acts at gadE-dependent and -independent promoters
Matthew D Johnson, Neil A Burton, Bernardo Gutiérrez, et al.
Journal of Computational Chemistry
|
January 29, 2024
A neural network potential based on pairwise resolved atomic forces and energies
Jas Kalayan, Ismaeel Ramzan, Christopher D Williams, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 10, 2008
A QM/MM study of fluoroaromatic interactions at the binding site of carbonic anhydrase II, using a DFT method corrected for dispersive interactions
Claudio A Morgado, Ian H Hillier, Neil A Burton, et al.
Journal of Chemical Information and Modeling
|
February 24, 2010
Inhibitors of PIM-1 kinase: a computational analysis of the binding free energies of a range of imidazo [1,2-b] pyridazines
Slimane Doudou, Raman Sharma, Richard H Henchman, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 14, 2011
Investigation of ligand exchange reactions in aqueous uranyl carbonate complexes using computational approaches
Slimane Doudou, Krishnamoorthy Arumugam, David J Vaughan, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 1, 2008
A computational study of the intramolecular deprotonation of a carbon acid in aqueous solution
Raman Sharma, Michelle Thorley, Jonathan P McNamara, et al.
The Journal of Chemical Physics
|
February 6, 2008
The structure and binding energies of the van der Waals complexes of Ar and N2 with phenol and its cation, studied by high level ab initio and density functional theory calculations
Mark A Vincent, Ian H Hillier, Claudio A Morgado, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 18, 2007
The binding of nitric oxide at the Cu(i) site of copper nitrite reductase and of inorganic models: DFT calculations of the energetics and EPR parameters of side-on and end-on structures
Ganga Periyasamy, Mahesh Sundararajan, Ian H Hillier, et al.
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Search research articles
Search
Showing results (21-30 of 51) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
November 21, 2015
The Development of a Classical Force Field To Determine the Selectivity of an Aqueous Fe(3+)-EDA Complex for TcO4(-) and SO4(2.)
Christopher D Williams, Neil A Burton, Karl P Travis, et al.
Journal of Molecular Biology
|
July 7, 2010
Novel aspects of the acid response network of E. coli K-12 are revealed by a study of transcriptional dynamics
Neil A Burton, Matthew D Johnson, Philipp Antczak, et al.
Journal of Bacteriology
|
May 17, 2011
RcsB is required for inducible acid resistance in Escherichia coli and acts at gadE-dependent and -independent promoters
Matthew D Johnson, Neil A Burton, Bernardo Gutiérrez, et al.
Journal of Computational Chemistry
|
January 29, 2024
A neural network potential based on pairwise resolved atomic forces and energies
Jas Kalayan, Ismaeel Ramzan, Christopher D Williams, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 10, 2008
A QM/MM study of fluoroaromatic interactions at the binding site of carbonic anhydrase II, using a DFT method corrected for dispersive interactions
Claudio A Morgado, Ian H Hillier, Neil A Burton, et al.
Journal of Chemical Information and Modeling
|
February 24, 2010
Inhibitors of PIM-1 kinase: a computational analysis of the binding free energies of a range of imidazo [1,2-b] pyridazines
Slimane Doudou, Raman Sharma, Richard H Henchman, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 14, 2011
Investigation of ligand exchange reactions in aqueous uranyl carbonate complexes using computational approaches
Slimane Doudou, Krishnamoorthy Arumugam, David J Vaughan, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 1, 2008
A computational study of the intramolecular deprotonation of a carbon acid in aqueous solution
Raman Sharma, Michelle Thorley, Jonathan P McNamara, et al.
The Journal of Chemical Physics
|
February 6, 2008
The structure and binding energies of the van der Waals complexes of Ar and N2 with phenol and its cation, studied by high level ab initio and density functional theory calculations
Mark A Vincent, Ian H Hillier, Claudio A Morgado, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 18, 2007
The binding of nitric oxide at the Cu(i) site of copper nitrite reductase and of inorganic models: DFT calculations of the energetics and EPR parameters of side-on and end-on structures
Ganga Periyasamy, Mahesh Sundararajan, Ian H Hillier, et al.
Page
of 6