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Iain M McLay

Showing results (1-10 of 21) with videos related to

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Drug Discovery Today|January 25, 2012
Should medicinal chemists do molecular modelling?Timothy J Ritchie, Iain M McLay
Journal of Chemical Information and Modeling|May 21, 2009
Quantum Isostere Database: a web-based tool using quantum chemical topology to predict bioisosteric replacements for drug designMike Devereux, Paul L A Popelier, Iain M McLay
Physical Chemistry Chemical Physics : PCCP|February 26, 2009
A refined model for prediction of hydrogen bond acidity and basicity parameters from quantum chemical molecular descriptorsMike Devereux, Paul L A Popelier, Iain M McLay
Journal of Computational Chemistry|November 13, 2008
Toward an ab initio fragment database for bioisosterism: dependence of QCT properties on level of theory, conformation, and chemical environmentMichael Devereux, Paul L A Popelier, Iain M McLay
Journal of Chemical Information and Modeling|March 28, 2006
Knowledge-based interaction fingerprint scoring: a simple method for improving the effectiveness of fast scoring functionsChidochangu P Mpamhanga, Beining Chen, Iain M McLay, et al.
Journal of Chemical Information and Modeling|July 28, 2005
Retrospective docking study of PDE4B ligands and an analysis of the behavior of selected scoring functionsChidochangu P Mpamhanga, Beining Chen, Iain M McLay, et al.
Journal of Medicinal Chemistry|July 11, 2003
Drug rings database with web interface. A tool for identifying alternative chemical rings in lead discovery programsXiao Qing Lewell, Andrew C Jones, Craig L Bruce, et al.
Journal of Medicinal Chemistry|June 5, 2008
X-ray crystal structure of the novel enhanced-affinity glucocorticoid agonist fluticasone furoate in the glucocorticoid receptor-ligand binding domainKeith Biggadike, Randy K Bledsoe, Anne M Hassell, et al.
Journal of Medicinal Chemistry|May 17, 2002
An algorithm-directed two-component library synthesized via solid-phase methodology yielding potent and orally bioavailable p38 MAP kinase inhibitorsJeffrey M McKenna, Frank Halley, John E Souness, et al.
Journal of Chemical Information and Modeling|May 13, 2009
Analysis of neighborhood behavior in lead optimization and array designGeorge Papadatos, Anthony W J Cooper, Visakan Kadirkamanathan, et al.
Pageof 3

Showing results (1-10 of 21) with videos related to

Sort By:
Pageof 3
Drug Discovery Today|January 25, 2012
Should medicinal chemists do molecular modelling?Timothy J Ritchie, Iain M McLay
Journal of Chemical Information and Modeling|May 21, 2009
Quantum Isostere Database: a web-based tool using quantum chemical topology to predict bioisosteric replacements for drug designMike Devereux, Paul L A Popelier, Iain M McLay
Physical Chemistry Chemical Physics : PCCP|February 26, 2009
A refined model for prediction of hydrogen bond acidity and basicity parameters from quantum chemical molecular descriptorsMike Devereux, Paul L A Popelier, Iain M McLay
Journal of Computational Chemistry|November 13, 2008
Toward an ab initio fragment database for bioisosterism: dependence of QCT properties on level of theory, conformation, and chemical environmentMichael Devereux, Paul L A Popelier, Iain M McLay
Journal of Chemical Information and Modeling|March 28, 2006
Knowledge-based interaction fingerprint scoring: a simple method for improving the effectiveness of fast scoring functionsChidochangu P Mpamhanga, Beining Chen, Iain M McLay, et al.
Journal of Chemical Information and Modeling|July 28, 2005
Retrospective docking study of PDE4B ligands and an analysis of the behavior of selected scoring functionsChidochangu P Mpamhanga, Beining Chen, Iain M McLay, et al.
Journal of Medicinal Chemistry|July 11, 2003
Drug rings database with web interface. A tool for identifying alternative chemical rings in lead discovery programsXiao Qing Lewell, Andrew C Jones, Craig L Bruce, et al.
Journal of Medicinal Chemistry|June 5, 2008
X-ray crystal structure of the novel enhanced-affinity glucocorticoid agonist fluticasone furoate in the glucocorticoid receptor-ligand binding domainKeith Biggadike, Randy K Bledsoe, Anne M Hassell, et al.
Journal of Medicinal Chemistry|May 17, 2002
An algorithm-directed two-component library synthesized via solid-phase methodology yielding potent and orally bioavailable p38 MAP kinase inhibitorsJeffrey M McKenna, Frank Halley, John E Souness, et al.
Journal of Chemical Information and Modeling|May 13, 2009
Analysis of neighborhood behavior in lead optimization and array designGeorge Papadatos, Anthony W J Cooper, Visakan Kadirkamanathan, et al.
Pageof 3