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Bioorganic & Medicinal Chemistry Letters
|
February 22, 2008
Design, synthesis, and thrombin-inhibitory activity of pyridin-2-ones as P2/P3 core motifs
Stephen Hanessian, Daniel Simard, Malken Bayrakdarian, et al.
Journal of Chemical Information and Modeling
|
August 25, 2012
Development of a computational tool to rival experts in the prediction of sites of metabolism of xenobiotics by p450s
Valérie Campagna-Slater, Joshua Pottel, Eric Therrien, et al.
Journal of Chemical Information and Modeling
|
October 4, 2014
Docking ligands into flexible and solvated macromolecules. 7. Impact of protein flexibility and water molecules on docking-based virtual screening accuracy
Eric Therrien, Nathanael Weill, Anna Tomberg, et al.
Accounts of Chemical Research
|
August 17, 2016
Medicinal Chemistry Projects Requiring Imaginative Structure-Based Drug Design Methods
Nicolas Moitessier, Joshua Pottel, Eric Therrien, et al.
Bioorganic & Medicinal Chemistry Letters
|
August 14, 2009
From natural products to achiral drug prototypes: potent thrombin inhibitors based on P2/P3 dihydropyrid-2-one core motifs
Stephen Hanessian, Eric Therrien, Jianbin Zhang, et al.
Nature
|
April 5, 2019
An allosteric mechanism for potent inhibition of human ATP-citrate lyase
Jia Wei, Silvana Leit, Jun Kuai, et al.
Bioorganic & Medicinal Chemistry Letters
|
November 18, 2005
Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure
Stephen Hanessian, Eric Therrien, Willem A L van Otterlo, et al.
Journal of Chemical Information and Modeling
|
December 3, 2011
Integrating medicinal chemistry, organic/combinatorial chemistry, and computational chemistry for the discovery of selective estrogen receptor modulators with Forecaster, a novel platform for drug discovery
Eric Therrien, Pablo Englebienne, Andrew G Arrowsmith, et al.
Journal of Medicinal Chemistry
|
July 7, 2012
Virtual screening and computational optimization for the discovery of covalent prolyl oligopeptidase inhibitors with activity in human cells
Stéphane De Cesco, Sébastien Deslandes, Eric Therrien, et al.
Journal of Chemical Information and Modeling
|
June 2, 2023
A Computational Physics-based Approach to Predict Unbound Brain-to-Plasma Partition Coefficient, K<sub>p,uu</sub>
Morgan Lawrenz, Mats Svensson, Mitsunori Kato, et al.
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of 3
Search research articles
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Showing results (11-20 of 30) with videos related to
Sort By:
Page
of 3
Bioorganic & Medicinal Chemistry Letters
|
February 22, 2008
Design, synthesis, and thrombin-inhibitory activity of pyridin-2-ones as P2/P3 core motifs
Stephen Hanessian, Daniel Simard, Malken Bayrakdarian, et al.
Journal of Chemical Information and Modeling
|
August 25, 2012
Development of a computational tool to rival experts in the prediction of sites of metabolism of xenobiotics by p450s
Valérie Campagna-Slater, Joshua Pottel, Eric Therrien, et al.
Journal of Chemical Information and Modeling
|
October 4, 2014
Docking ligands into flexible and solvated macromolecules. 7. Impact of protein flexibility and water molecules on docking-based virtual screening accuracy
Eric Therrien, Nathanael Weill, Anna Tomberg, et al.
Accounts of Chemical Research
|
August 17, 2016
Medicinal Chemistry Projects Requiring Imaginative Structure-Based Drug Design Methods
Nicolas Moitessier, Joshua Pottel, Eric Therrien, et al.
Bioorganic & Medicinal Chemistry Letters
|
August 14, 2009
From natural products to achiral drug prototypes: potent thrombin inhibitors based on P2/P3 dihydropyrid-2-one core motifs
Stephen Hanessian, Eric Therrien, Jianbin Zhang, et al.
Nature
|
April 5, 2019
An allosteric mechanism for potent inhibition of human ATP-citrate lyase
Jia Wei, Silvana Leit, Jun Kuai, et al.
Bioorganic & Medicinal Chemistry Letters
|
November 18, 2005
Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure
Stephen Hanessian, Eric Therrien, Willem A L van Otterlo, et al.
Journal of Chemical Information and Modeling
|
December 3, 2011
Integrating medicinal chemistry, organic/combinatorial chemistry, and computational chemistry for the discovery of selective estrogen receptor modulators with Forecaster, a novel platform for drug discovery
Eric Therrien, Pablo Englebienne, Andrew G Arrowsmith, et al.
Journal of Medicinal Chemistry
|
July 7, 2012
Virtual screening and computational optimization for the discovery of covalent prolyl oligopeptidase inhibitors with activity in human cells
Stéphane De Cesco, Sébastien Deslandes, Eric Therrien, et al.
Journal of Chemical Information and Modeling
|
June 2, 2023
A Computational Physics-based Approach to Predict Unbound Brain-to-Plasma Partition Coefficient, K<sub>p,uu</sub>
Morgan Lawrenz, Mats Svensson, Mitsunori Kato, et al.
Page
of 3