N. Moitessier

发表

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

Valérie Campagna-Slater, Eric Therrien, Nathanael Weill, 2014, Current pharmaceutical design.

Augmented base pairing networks encode RNA-small molecule binding preferences

William L. Hamilton, J. Waldispühl, N. Moitessier, 2020, Nucleic acids research.

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.

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.

Understanding P450-mediated Bio-transformations into Epoxide and Phenolic Metabolites.

P. Labute, N. Moitessier, Zhaomin Liu, 2015, Angewandte Chemie.

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

N. Moitessier, S. Hanessian, S. Wilmouth, 2001 .

Functional Characterization and In Silico Docking of Full and Partial GluK2 Kainate Receptor Agonists

Christopher R. Corbeil, N. Moitessier, D. Bowie, 2009, Molecular Pharmacology.

Discovery of covalent prolyl oligopeptidase boronic ester inhibitors.

A. Mittermaier, N. Moitessier, C. Dufresne, 2019, European journal of medicinal chemistry.

Design, synthesis and evaluation of antiestrogen and histone deacetylase inhibitor molecular hybrids.

S. Mader, N. Moitessier, I. Jutras, 2015, Bioorganic & medicinal chemistry.

Efficient Transition State Modeling Using Molecular Mechanics Force Fields for the Everyday Chemist

N. Moitessier, J. Pottel, 2016 .

Challenges and current status of computational methods for docking small molecules to nucleic acids.

J. Waldispühl, N. Moitessier, Jiaying Luo, 2019, European journal of medicinal chemistry.

From desktop to benchtop with automated computational workflows for computer-aided design in asymmetric catalysis

N. Moitessier, P. Norrby, Michelle Bezanson, 2020, Nature Catalysis.

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

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

Theory and Application of Medium to High Throughput Prediction Method Techniques for Asymmetric Catalyst Design

N. Moitessier, C. Corbeil, 2010 .

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

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

A platinum(II) phenylphenanthroimidazole with an extended side-chain exhibits slow dissociation from a c-Kit G-quadruplex motif.

A. Mittermaier, N. Moitessier, H. Sleiman, 2013, Chemistry.

An o-aminoanilide analogue of 1α,25-dihydroxyvitamin D(3) functions as a strong vitamin D receptor antagonist.

John H. White, N. Moitessier, J. L. Gleason, 2010, Journal of medicinal chemistry.

Platinum phenanthroimidazole complexes as G-quadruplex DNA selective binders.

N. Moitessier, H. Sleiman, R. Kieltyka, 2008, Chemistry.

Asymmetric dihydroxylation of chiral styrene derivatives: development of an analytical strategy for the determination of the diastereomeric excess

N. Moitessier, C. Len, S. Pilard, 2002 .

Rapid measurement of inhibitor binding kinetics by isothermal titration calorimetry

A. Mittermaier, Stephane De Cesco, N. Moitessier, 2018, Nature Communications.

Adjusting the Structure of 2'-Modified Nucleosides and Oligonucleotides via C4'-α-F or C4'-α-OMe Substitution: Synthesis and Conformational Analysis.

N. Moitessier, M. Damha, Saúl Martínez-Montero, 2018, The Journal of organic chemistry.

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..

Accurately Modeling the Conformational Preferences of Nucleosides.

N. Moitessier, M. Damha, Elise Malek-Adamian, 2017, Journal of the American Chemical Society.

Integrated Synthetic, Biophysical and Computational Investigations of Covalent Inhibitors of Prolyl Oligopeptidase and Fibroblast Activation Protein α.

A. Mittermaier, Stephane De Cesco, N. Moitessier, 2019, Journal of medicinal chemistry.

Targeting MYC: From understanding its biology to drug discovery.

T. Möröy, Kevin M. McBride, N. Moitessier, 2020, European journal of medicinal chemistry.

Regioselective acylation, alkylation, silylation and glycosylation of monosaccharides

N. Moitessier, J. Lawandi, S. Rocheleau, 2016 .

Directing/protecting groups mediate highly regioselective glycosylation of monoprotected acceptors

N. Moitessier, J. Lawandi, S. Rocheleau, 2011 .

Platinum(II) Phenanthroimidazoles for Targeting Telomeric G‐Quadruplexes

A. Mittermaier, Nathanael Weill, N. Moitessier, 2012, ChemMedChem.

Active Site Crowding of Cytochrome P450 3A4 as a Strategy To Alter Its Selectivity

N. Moitessier, K. Auclair, Paolo Schiavini, 2017, Chembiochem : a European journal of chemical biology.

Enzyme Kinetics by Isothermal Titration Calorimetry: Allostery, Inhibition, and Dynamics

A. Mittermaier, N. Moitessier, Guanyu Wang, 2020, Frontiers in Molecular Biosciences.

Design and discovery of boronic acid drugs.

N. Moitessier, J. Plescia, 2020, European journal of medicinal chemistry.

Exploring Atypical Fluorine-Hydrogen Bonds and Their Effects on Nucleoside Conformations.

N. Moitessier, M. Damha, R. Stein, 2018, Chemistry.

Metabolic Instability of Cyanothiazolidine‐Based Prolyl Oligopeptidase Inhibitors: a Structural Assignment Challenge and Potential Medicinal Chemistry Implications

N. Moitessier, K. Auclair, J. Pottel, 2015, ChemMedChem.

Solvent effect in diastereoselective intramolecular Diels–Alder reactions

N. Moitessier, A. Tomberg, Stéphane De Cesco, 2015 .

Modulating the selectivity of inhibitors for prolyl oligopeptidase inhibitors and fibroblast activation protein-α for different indications.

A. Mittermaier, N. Moitessier, C. Dufresne, 2022, European journal of medicinal chemistry.

Phosphorylation of a constrained azacyclic FTY720 analog enhances anti-leukemic activity without inducing S1P receptor activation

S. Clare, M. Kleinman, N. Moitessier, 2016, Leukemia.

Inhibitors of prolyl oligopeptidases for the therapy of human diseases: defining diseases and inhibitors.

L. Juillerat-Jeanneret, N. Moitessier, S. Gerber‐Lemaire, 2010, Journal of medicinal chemistry.

Exploring Synthetically Accessible Chemical Space

N. Moitessier, J. Pottel, 2020 .

Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CLpro covalent inhibitors

Itai Sharon, A. Mittermaier, N. Moitessier, 2021, European Journal of Medicinal Chemistry.

Design, modeling and synthesis of functionalized paromamine analogs

N. Moitessier, A. Kornienko, S. Hanessian, 2001 .

Orthogonally protected carbohydrate-based scaffolds

N. Moitessier, Y. Chapleur, C. Henry, 2005 .

Covalent inhibitors design and discovery.

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

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

Nicolas Moitessier, Lucienne Juillerat-Jeanneret, Sabine Thielges, 2009, 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.

A platinum supramolecular square as an effective G-quadruplex binder and telomerase inhibitor.

N. Moitessier, H. Sleiman, C. Autexier, 2008, Journal of the American Chemical Society.

Highly Regioselective Monoacylation of Unprotected Glucopyranoside using Transient Directing-Protecting Groups

N. Moitessier, J. Pottel, I. Huskić, 2017 .

Directing-protecting groups for carbohydrates. Design, conformational study, synthesis and application to regioselective functionalization

N. Moitessier, Y. Chapleur, P. Englebienne, 2005 .

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

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

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..

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..

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

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

Fluoride-Mediated Desulfonylative Intramolecular Cyclization to Fused and Bridged Bicyclic Compounds: A Complex Mechanism.

N. Moitessier, Michelle Bezanson, A. Tomberg, 2017, The Journal of organic chemistry.

Synthesis of carbohydrate-based peptidomimetics as potential selective fibrinogen receptor antagonists

N. Moitessier, B. Maigret, H. Minoux, 1998, Letters in Peptide Science.

Design, synthesis and preliminary biological evaluation of a focused combinatorial library of stereodiverse carbohydrate-scaffold-based peptidomimetics.

J. Thiery, N. Moitessier, B. Maigret, 2001, Bioorganic & medicinal chemistry.

Looking forward: a glance into the future of organic chemistry

S. Py, N. Moitessier, F. Robert, 2006 .

Azo···phenyl stacking: a persistent self-assembly motif guides the assembly of fluorinated cis-azobenzenes into photo-mechanical needle crystals.

N. Moitessier, T. Friščić, C. Barrett, 2016, Chemical communications.

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

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

Asymmetric dihydroxylation of d-xylose-derived allyl ethers

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

4'-C-Methoxy-2'-deoxy-2'-fluoro Modified Ribonucleotides Improve Metabolic Stability and Elicit Efficient RNAi-Mediated Gene Silencing.

K. G. Rajeev, M. Manoharan, N. Moitessier, 2017, Journal of the American Chemical Society.

Modulation of the relative reactivities of carbohydrate secondary hydroxyl groups. Modification of the hydrogen bond network

N. Moitessier, Y. Chapleur, 2003 .

Complete Kinetic Characterization of Enzyme Inhibition in a Single Isothermal Titration Calorimetric Experiment.

A. Mittermaier, N. Moitessier, J. D. Di Trani, 2018, Analytical 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.

Synthesis and biological activities of inositol 1,4,5-trisphosphate mimics related to xylopyranosides

N. Moitessier, F. Chrétien, C. Humeau, 1995 .

Carbohydrate-Based Mimics of D-myo-Inositol 1,4,5-Trisphosphate

N. Moitessier, F. Chrétien, Y. Chapleur, 2000 .

Synthesis and Biological Activities of Inositol 1,4,5-Triphosphate Mimics Related to Xylopyranosides.

N. Moitessier, F. Chrétien, Y. Chapleur, 1996 .

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..

Structural Polymorphism of Guanine Quadruplex-Containing Regions in Human Promoters

A. Mittermaier, N. Moitessier, Chuyang Zhang, 2022, International journal of molecular sciences.

On the mechanism of demethylation of 5-methylcytosine in DNA.

M. Szyf, N. Moitessier, O. Mamer, 2008, Bioorganic & medicinal chemistry letters.

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

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

Modeling Reality for Optimal Docking of Small Molecules to Biological Targets

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

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..

Docking Ligands into Flexible and Solvated Macromolecules. 8. Forming New Bonds─Challenges and Opportunities

N. Moitessier, J. Pottel, A. Labarre, 2021, J. Chem. Inf. Model..

Rapid measurement of inhibitor binding kinetics by isothermal titration calorimetry

A. Mittermaier, Stephane De Cesco, N. Moitessier, 2018, Nature Communications.

Measuring Rapid Time-Scale Reaction Kinetics Using Isothermal Titration Calorimetry.

A. Mittermaier, N. Moitessier, J. D. Di Trani, 2017, Analytical chemistry.

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

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

A cryptic third active site in cyanophycin synthetase creates primers for polymerization

Itai Sharon, D. Hilvert, N. Moitessier, 2022, Nature Communications.

Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go

Christopher R. Corbeil, N Moitessier, P Englebienne, 2008, British journal of pharmacology.

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..

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.

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.

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..

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.

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.

14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon

Ghezal Ahmad Jan Zia, Samuel G. Rodriques, Logan T. Ward, 2023, 2306.06283.

Design and synthesis of matrix metalloproteinase inhibitors guided by molecular modeling. Picking the S(1) pocket using conformationally constrained inhibitors.

N Moitessier, N. Moitessier, S. Hanessian, 2001, Journal of medicinal chemistry.

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

Nicolas Moitessier, Jérôme Waldispühl, Wanlei Wei, 2019, 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.

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

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

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..

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. 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..

14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon

Ghezal Ahmad Jan Zia, Samuel G. Rodriques, Logan T. Ward, 2023, Digital discovery.

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

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

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..

Augmented base pairing networks encode RNA-small molecule binding preferences

William L. Hamilton, J. Waldispühl, N. Moitessier, 2020, Nucleic acids research.

Leveraging binding-site structure for drug discovery with point-cloud methods pdf

Carlos G. Oliver, Jérôme Waldispühl, Vincent Mallet, 2019, ArXiv.

Computational and biophysical methods for the discovery and optimization of covalent drugs.

A. Mittermaier, N. Moitessier, Guanyu Wang, 2023, Chemical communications.

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

4'-C-Methoxy-2'-deoxy-2'-fluoro Modified Ribonucleotides Improve Metabolic Stability and Elicit Efficient RNAi-Mediated Gene Silencing.

K. G. Rajeev, M. Manoharan, N. Moitessier, 2017, Journal of the American Chemical Society.

Discovery of novel small-molecule antagonists for GluK2.

N. Moitessier, D. Bowie, G. B. Dawe, 2015, Bioorganic & medicinal chemistry letters.

Measuring Rapid Time-Scale Reaction Kinetics Using Isothermal Titration Calorimetry.

A. Mittermaier, N. Moitessier, Justin M. Di Trani, 2017, Analytical chemistry.

Azo···phenyl stacking: a persistent self-assembly motif guides the assembly of fluorinated cis-azobenzenes into photo-mechanical needle crystals.

N. Moitessier, T. Friščić, C. Barrett, 2016, Chemical communications.

Complete Kinetic Characterization of Enzyme Inhibition in a Single Isothermal Titration Calorimetric Experiment.

A. Mittermaier, N. Moitessier, Justin M. Di Trani, 2018, Analytical chemistry.

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

Valérie Campagna-Slater, Eric Therrien, N. Moitessier, 2012, J. Chem. Inf. Model..

Expedient synthesis of novel bicyclic peptidomimetic scaffolds

N. Moitessier, Mitchell J. Huot, 2010 .

Customizable Generation of Synthetically Accessible, Local Chemical Subspaces

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

N-Aryl sulfonyl homocysteine hydroxamate inhibitors of matrix metalloproteinases: further probing of the S(1), S(1)', and S(2)' pockets.

N. Moitessier, S. Hanessian, Martin Viau, 2001, Journal of medicinal chemistry.