Nicolas Moitessier

发表

Docking Ligands into Flexible and Solvated Macromolecules. 3. Impact of Input Ligand Conformation, Protein Flexibility, and Water Molecules on the Accuracy of Docking Programs

Christopher R. Corbeil, Nicolas Moitessier, N. Moitessier, 2009, J. Chem. Inf. Model..

High Performance Computing Symposium 2011

Nicolas Moitessier, Guy Rouleau, Normand Mousseau, 2012 .

Docking Ligands into Flexible and Solvated Macromolecules. 5. Force-Field-Based Prediction of Binding Affinities of Ligands to Proteins

Nicolas Moitessier, Pablo Englebienne, 2009, J. Chem. Inf. Model..

Development of a Computational Tool to Rival Experts in the Prediction of Sites of Metabolism of Xenobiotics by P450s

Valérie Campagna-Slater, Nicolas Moitessier, Joshua Pottel, 2012, J. Chem. Inf. Model..

Customizable Generation of Synthetically Accessible, Local Chemical Subspaces

Nicolas Moitessier, Joshua Pottel, 2017, J. Chem. Inf. Model..

Docking Ligands into Flexible and Solvated Macromolecules. 6. Development and Application to the Docking of HDACs and other Zinc Metalloenzymes Inhibitors

Nicolas Moitessier, Joshua Pottel, Eric Therrien, 2014, J. Chem. Inf. Model..

Docking Ligands into Flexible and Solvated Macromolecules, 7. Impact of Protein Flexibility and Water Molecules on Docking-Based Virtual Screening Accuracy

Nathanael Weill, Christopher R. Corbeil, Nicolas Moitessier, 2014, J. Chem. Inf. Model..

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

Valérie Campagna-Slater, Nicolas Moitessier, Eric Therrien, 2014, Current pharmaceutical design.

Medicinal Chemistry Projects Requiring Imaginative Structure-Based Drug Design Methods.

Christopher R. Corbeil, Nicolas Moitessier, Pablo Englebienne, 2016, Accounts of chemical research.

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

Stephen Hanessian, Nicolas Moitessier, Eric Therrien, 2001, J. Comput. Aided Mol. Des..

Elucidating Hyperconjugation from Electronegativity to Predict Drug Conformational Energy in a High Throughput Manner

Paul Labute, Nicolas Moitessier, Joshua Pottel, 2016, J. Chem. Inf. Model..

Predicting Positions of Bridging Water Molecules in Nucleic Acid-Ligand Complexes

Nicolas Moitessier, Jérôme Waldispühl, Wanlei Wei, 2019, J. Chem. Inf. Model..

Atom Type Independent Modeling of the Conformational Energy of Benzylic, Allylic, and Other Bonds Adjacent to Conjugated Systems

Paul Labute, Nicolas Moitessier, Stephen J Barigye, 2019, J. Chem. Inf. Model..

Torsional Energy Barriers of Biaryls Could Be Predicted by Electron Richness/Deficiency of Aromatic Rings; Advancement of Molecular Mechanics toward Atom-Type Independence

Paul Labute, Nicolas Moitessier, Stephen J Barigye, 2019, J. Chem. Inf. Model..

Toward a computational tool predicting the stereochemical outcome of asymmetric reactions: Development of the molecular mechanics‐based program ACE and application to asymmetric epoxidation reactions

Nathanael Weill, Christopher R. Corbeil, Nicolas Moitessier, 2011, J. Comput. Chem..

Use of Extended-Hückel Descriptors for Rapid and Accurate Predictions of Conjugated Torsional Energy Barriers

Paul Labute, Nicolas Moitessier, Stephen J Barigye, 2020, J. Chem. Inf. Model..

Atom Types Independent Molecular Mechanics Method for Predicting the Conformational Energy of Small Molecules

Paul Labute, Nicolas Moitessier, Stephen J Barigye, 2018, J. Chem. Inf. Model..

Docking Ligands into Flexible and Solvated Macromolecules. 2. Development and Application of Fitted 1.5 to the Virtual Screening of Potential HCV Polymerase Inhibitors

Christopher R. Corbeil, Nicolas Moitessier, Pablo Englebienne, 2008, J. Chem. Inf. Model..

Docking Ligands into Flexible and Solvated Macromolecules. 4. Are Popular Scoring Functions Accurate for this Class of Proteins?

Nicolas Moitessier, Pablo Englebienne, N. Moitessier, 2009, J. Chem. Inf. Model..

Docking Ligands into Flexible and Solvated Macromolecules, 1. Development and Validation of FITTED 1.0

Christopher R. Corbeil, Nicolas Moitessier, Pablo Englebienne, 2007, J. Chem. Inf. Model..

Single-Point Mutation with a Rotamer Library Toolkit: Toward Protein Engineering

Nicolas Moitessier, Joshua Pottel, N. Moitessier, 2015, J. Chem. Inf. Model..

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

Valérie Campagna-Slater, Christopher R. Corbeil, Nicolas Moitessier, 2012, J. Chem. Inf. Model..

Quantifying interactions between G-quadruplex DNA and transition-metal complexes.

Nicolas Moitessier, Pablo Englebienne, N. Moitessier, 2010, Methods in molecular biology.

Modeling Reality for Optimal Docking of Small Molecules to Biological Targets

Christopher R. Corbeil, Nicolas Moitessier, Eric Therrien, 2009 .

3-Oxo-hexahydro-1H-isoindole-4-carboxylic Acid as a Drug Chiral Bicyclic Scaffold: Structure-Based Design and Preparation of Conformationally Constrained Covalent and Noncovalent Prolyl Oligopeptidase Inhibitors.

Nicolas Moitessier, A. Mittermaier, Stephane De Cesco, 2016, Journal of medicinal chemistry.

Combining pharmacophore search, automated docking, and molecular dynamics simulations as a novel strategy for flexible docking. Proof of concept: docking of arginine-glycine-aspartic acid-like compounds into the alphavbeta3 binding site.

Nicolas Moitessier, Bernard Maigret, N. Moitessier, 2004, Journal of medicinal chemistry.

Toward a computational tool predicting the stereochemical outcome of asymmetric reactions: development and application of a rapid and accurate program based on organic principles.

Nicolas Moitessier, Christopher R Corbeil, Sabine Thielges, 2008, Angewandte Chemie.

Docking Ligands into Flexible and Solvated Macromolecules. Part 2. Development and Application of FITTED 1.5 to the Virtual Screening of Potential HCV Polymerase Inhibitors.

Christopher R. Corbeil, Nicolas Moitessier, Pablo Englebienne, 2008 .

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

Stephen Hanessian, Nicolas Moitessier, Gaoqiang Yang, 2005 .

Molecular Dynamics‐Based Models Explain the Unexpected Diastereoselectivity of the Sharpless Asymmetric Dihydroxylation of Allyl D‐Xylosides

Nicolas Moitessier, Bernard Maigret, N. Moitessier, 2000 .

Constrained peptidomimetics reveal detailed geometric requirements of covalent prolyl oligopeptidase inhibitors.

Nicolas Moitessier, Lucienne Juillerat-Jeanneret, Sabine Thielges, 2009, Journal of medicinal chemistry.

Stereo- and regioselective synthesis of polysubstituted chiral 1,4-oxazepanes.

Nicolas Moitessier, Joshua Pottel, Michelle Bezanson, 2013, The Journal of organic chemistry.

Toward a computational tool predicting the stereochemical outcome of asymmetric reactions. 1. Application to Sharpless asymmetric dihydroxylation.

Nicolas Moitessier, Christophe Len, N. Moitessier, 2002, The Journal of organic chemistry.

Virtual screening and computational optimization for the discovery of covalent prolyl oligopeptidase inhibitors with activity in human cells.

Nicolas Moitessier, Louis-David Cantin, Lucienne Juillerat-Jeanneret, 2012, Journal of medicinal chemistry.

Docking of aminoglycosides to hydrated and flexible RNA.

Stephen Hanessian, Nicolas Moitessier, Eric Westhof, 2006, Journal of medicinal chemistry.

Evaluation of docking programs for predicting binding of Golgi α‐mannosidase II inhibitors: A comparison with crystallography

Sandrine Gerber-Lemaire, Christopher R. Corbeil, Nicolas Moitessier, 2007, Proteins.

Design and synthesis of MMP inhibitors using N-arylsulfonylaziridine hydroxamic acids as constrained scaffolds

Stephen Hanessian, Nicolas Moitessier, Louis-David Cantin, 2001 .

On the Origin of the Facial Selectivity of the Sharpless Asymmetric Dihydroxylation of Styrene Derivatives

Nicolas Moitessier, Christophe Len, Christophe Henry, 2003 .

Theory and application of medium to high throughput prediction method techniques for asymmetric catalyst design

Christopher R. Corbeil, Nicolas Moitessier, N. Moitessier, 2010 .

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

Stephen Hanessian, Nicolas Moitessier, Eric Therrien, 2006, Journal of medicinal chemistry.

Asymmetric dihydroxylation of d-xylose-derived allyl ethers

Nicolas Moitessier, N. Moitessier, F. Chrétien, 1997 .

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

Stephen Hanessian, Nicolas Moitessier, Gaoqiang Yang, 2005, Journal of medicinal chemistry.

Tetrahydrofuran as a Scaffold for Peptidomimetics. Application to the Design and Synthesis of Conformationally Constrained Metalloproteinase Inhibitors

Stephen Hanessian, Nicolas Moitessier, N. Moitessier, 2000 .

D-myo-inositol-1,4,5-trisphosphate and adenophostin mimics: importance of the spatial orientation of a phosphate group on the biological activity.

Nicolas Moitessier, N. Moitessier, F. Chrétien, 2002, Bioorganic & medicinal chemistry.

Covalent inhibitors design and discovery.

Nicolas Moitessier, A. Mittermaier, Stephane De Cesco, 2017, European journal of medicinal chemistry.

Automated, customizable and efficient identification of 3D base pair modules with BayesPairing

Jérôme Waldispühl, Nicolas Moitessier, Vladimir Reinharz, 2019, Nucleic acids research.