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Drug Testing and Analysis
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December 20, 2013
Predicting the activity and toxicity of new psychoactive substances: a pharmaceutical industry perspective
Andrew G Leach
Organic & Biomolecular Chemistry
|
January 22, 2015
A mechanistic proposal for the protodeboronation of neat boronic acids: boronic acid mediated reaction in the solid state
Gary Noonan, Andrew G Leach
Journal of Chemical Information and Modeling
|
May 6, 2011
Quantitatively interpreted enhanced inhibition of cytochrome P450s by heteroaromatic rings containing nitrogen
Andrew G Leach, Nathan J Kidley
Organic & Biomolecular Chemistry
|
August 22, 2003
The mechanism and regioselectivity of the ene reactions of nitroso compounds: a theoretical study of reactivity, regioselectivity, and kinetic isotope effects establishes a stepwise path involving polarized diradical intermediates
Andrew G Leach, K N Houk
Journal of the American Chemical Society
|
December 12, 2002
The ene reactions of nitroso compounds involve polarized diradical intermediates
Andrew G Leach, K N Houk
Chemical Communications (Cambridge, England)
|
July 12, 2002
Diels-Alder and ene reactions of singlet oxygen, nitroso compounds and triazolinediones: transition states and mechanisms from contemporary theory
Andrew G Leach, K N Houk
Journal of Medicinal Chemistry
|
June 19, 2009
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers
Ulrich Zachariae, Fabrizio Giordanetto, Andrew G Leach
Molecular Informatics
|
August 5, 2016
Designing Hydroxamates and Reversed Hydroxamates to Inhibit Zinc-containing Proteases but not Cytochrome P450s: Insights from Quantum Mechanics and Protein-ligand Crystal Structures
Charlotte Barker, Iva Lukac, Andrew G Leach
Chemical Communications (Cambridge, England)
|
February 20, 2009
Reaction energies computed with density functional theory correspond with a whole organism effect; modelling the Ames test for mutagenicity
Andrew G Leach, Rebecca Cann, Simone Tomasi
Journal of Medicinal Chemistry
|
April 15, 2022
Data-Driven Derivation of Molecular Substructures That Enhance Drug Activity in Gram-Negative Bacteria
Dominik Gurvic, Andrew G Leach, Ulrich Zachariae
Page
of 9
Search research articles
Search
Showing results (1-10 of 84) with videos related to
Sort By:
Page
of 9
Drug Testing and Analysis
|
December 20, 2013
Predicting the activity and toxicity of new psychoactive substances: a pharmaceutical industry perspective
Andrew G Leach
Organic & Biomolecular Chemistry
|
January 22, 2015
A mechanistic proposal for the protodeboronation of neat boronic acids: boronic acid mediated reaction in the solid state
Gary Noonan, Andrew G Leach
Journal of Chemical Information and Modeling
|
May 6, 2011
Quantitatively interpreted enhanced inhibition of cytochrome P450s by heteroaromatic rings containing nitrogen
Andrew G Leach, Nathan J Kidley
Organic & Biomolecular Chemistry
|
August 22, 2003
The mechanism and regioselectivity of the ene reactions of nitroso compounds: a theoretical study of reactivity, regioselectivity, and kinetic isotope effects establishes a stepwise path involving polarized diradical intermediates
Andrew G Leach, K N Houk
Journal of the American Chemical Society
|
December 12, 2002
The ene reactions of nitroso compounds involve polarized diradical intermediates
Andrew G Leach, K N Houk
Chemical Communications (Cambridge, England)
|
July 12, 2002
Diels-Alder and ene reactions of singlet oxygen, nitroso compounds and triazolinediones: transition states and mechanisms from contemporary theory
Andrew G Leach, K N Houk
Journal of Medicinal Chemistry
|
June 19, 2009
Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers
Ulrich Zachariae, Fabrizio Giordanetto, Andrew G Leach
Molecular Informatics
|
August 5, 2016
Designing Hydroxamates and Reversed Hydroxamates to Inhibit Zinc-containing Proteases but not Cytochrome P450s: Insights from Quantum Mechanics and Protein-ligand Crystal Structures
Charlotte Barker, Iva Lukac, Andrew G Leach
Chemical Communications (Cambridge, England)
|
February 20, 2009
Reaction energies computed with density functional theory correspond with a whole organism effect; modelling the Ames test for mutagenicity
Andrew G Leach, Rebecca Cann, Simone Tomasi
Journal of Medicinal Chemistry
|
April 15, 2022
Data-Driven Derivation of Molecular Substructures That Enhance Drug Activity in Gram-Negative Bacteria
Dominik Gurvic, Andrew G Leach, Ulrich Zachariae
Page
of 9