List of works - Eric Therrien

1,2-Diamines as inhibitors of co-activator associated arginine methyltransferase 1 (CARM1).

scientific article published on 2 October 2009

A comparative docking study and the design of potentially selective MMP inhibitors

scientific article published on 01 October 2001

A method for induced-fit docking, scoring, and ranking of flexible ligands. Application to peptidic and pseudopeptidic beta-secretase (BACE 1) inhibitors.

scientific article published in October 2006

Design, synthesis, and thrombin-inhibitory activity of pyridin-2-ones as P2/P3 core motifs.

scientific article

Development of a computational tool to rival experts in the prediction of sites of metabolism of xenobiotics by p450s

scientific article published on 04 September 2012

Docking ligands into flexible and solvated macromolecules. 6. Development and application to the docking of HDACs and other zinc metalloenzymes inhibitors

scientific article published on 08 January 2014

Docking ligands into flexible and solvated macromolecules. 7. Impact of protein flexibility and water molecules on docking-based virtual screening accuracy

scientific article

From natural products to achiral drug prototypes: potent thrombin inhibitors based on P2/P3 dihydropyrid-2-one core motifs

scientific article published on 26 July 2009

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.

scientific article

Methods for docking small molecules to macromolecules: a user's perspective. 1. The theory.

scientific article

Methods for docking small molecules to macromolecules: a user's perspective. 2. Applications.

scientific article

N-Benzyl-1-heteroaryl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamides as inhibitors of co-activator associated arginine methyltransferase 1 (CARM1).

scientific article published on 24 December 2008

Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure

scientific article

Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics

scientific article published on August 2005

Sulfamides as novel histone deacetylase inhibitors.

scientific article

Synthesis and evaluation of lysine derived sulfamides as histone deacetylase inhibitors.

scientific article published on 23 February 2009

Synthesis of 3 10-helix-inducing constrained analogues of L-proline.

scientific article published in July 2004

Synthesis of diversely functionalized indolizidinones and related bicyclic lactams using intramolecular Grubbs olefin metathesis and Dieckmann condensation

scientific article published in September 2003

Targeting thrombin and factor VIIa: design, synthesis, and inhibitory activity of functionally relevant indolizidinones

scientific article published in October 2002

Virtual Screening and Computational Optimization for the Discovery of Covalent Prolyl Oligopeptidase Inhibitors with Activity in Human Cells ⬇️

scientific article published on July 17, 2012

List of works by Eric Therrien

1,2-Diamines as inhibitors of co-activator associated arginine methyltransferase 1 (CARM1).

A comparative docking study and the design of potentially selective MMP inhibitors

A method for induced-fit docking, scoring, and ranking of flexible ligands. Application to peptidic and pseudopeptidic beta-secretase (BACE 1) inhibitors.

Design, synthesis, and thrombin-inhibitory activity of pyridin-2-ones as P2/P3 core motifs.

Development of a computational tool to rival experts in the prediction of sites of metabolism of xenobiotics by p450s

Docking ligands into flexible and solvated macromolecules. 6. Development and application to the docking of HDACs and other zinc metalloenzymes inhibitors

Docking ligands into flexible and solvated macromolecules. 7. Impact of protein flexibility and water molecules on docking-based virtual screening accuracy

From natural products to achiral drug prototypes: potent thrombin inhibitors based on P2/P3 dihydropyrid-2-one core motifs

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.

Methods for docking small molecules to macromolecules: a user's perspective. 1. The theory.

Methods for docking small molecules to macromolecules: a user's perspective. 2. Applications.

N-Benzyl-1-heteroaryl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamides as inhibitors of co-activator associated arginine methyltransferase 1 (CARM1).

Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure

Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics

Sulfamides as novel histone deacetylase inhibitors.

Synthesis and evaluation of lysine derived sulfamides as histone deacetylase inhibitors.

Synthesis of 3 10-helix-inducing constrained analogues of L-proline.

Synthesis of diversely functionalized indolizidinones and related bicyclic lactams using intramolecular Grubbs olefin metathesis and Dieckmann condensation

Targeting thrombin and factor VIIa: design, synthesis, and inhibitory activity of functionally relevant indolizidinones

Virtual Screening and Computational Optimization for the Discovery of Covalent Prolyl Oligopeptidase Inhibitors with Activity in Human Cells ⬇️