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Structure-Activity Relationship Studies of Retro-1 Analogues Against Shiga Toxin

Hajer Abdelkafi, Aurélien Michau, Valérie Pons, Flora Ngadjeua, Alexandra Clerget, Lilia Ait Ouarab, David-Alexandre Buisson, Lucie Caramelle, Daniel Gillet, Julien Barbier, Jean-Christophe Cintrat

Version 1 posted 20 February 2020

656

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Organic Chemistry

Working Paper

High Yielding Flow Synthesis of a Macrocyclic Molecular Hinge

Christopher Jones, Laurence J. Kershaw Cook, David Marquez-Gamez, Konstantin V. Luzyanin, Jonathan Steed, Anna Slater

Version 1 posted 17 March 2021

349

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Theoretical and Computational Chemistry

Working Paper

MS2Mol: A transformer model for illuminating dark chemical space from mass spectra

Thomas Butler, Abraham Frandsen, Rose Lightheart, Brian Bargh, Thomas Kerby, Kiana West, Joseph Davison, James Taylor, Christoph Krettler, TJ Bollerman, Gennady Voronov, Kevin Moon, Tobias Kind, Pieter Dorrestein, August Allen, Viswa Colluru, David Healey

Version 4 posted 06 September 2023

3,440

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2

Citations

Biological and Medicinal Chemistry

Working Paper

Development of High-Specificity Fluorescent Probes to Enable Cannabinoid Type 2 Receptor Studies in Living Cells

Roman Sarott, Matthias Westphal, Patrick Pfaff, Claudia Korn, David Sykes, Gazzi, Thais, Benjamin Brennecke, Kenneth Atz, Marie Weise, Yelena Mostinski, Pattarin Hompluem, koers eline, Tamara Miljuš, Nicolas Roth, Hermon Asmelash, Man Vong, Jacopo Piovesan, Wolfgang Guba, Arne C. Rufer, Eric A. Kusznir, Sylwia Huber, Catarina Raposo, Elisabeth A. Zirwes, Anja Osterwald, Anto Pavlovic, Svenja Moes, Jennifer Beck, Irene Benito-Cuesta, Teresa Grande, Samuel ruiz de martin esteban, Alexei Yeliseev, Faye Drawnel, Gabriella Widmer, Daniela Holzer, Tom van der Wel, Harpreet Mandhair, Chen-Yin Yuan, Wiliam Drobyski, Yurii Saroz, Natasha Grimsey, Michael Honer, Jürgen Fingerle, Klaus Gawrisch, Julian Romero, Cecilia J. Hillard, Zoltan V. Varga, Mario van der Stelt, Pal Pacher, Jürg Gertsch, Peter McCormick, Christoph Ullmer, Sergio Oddi, Mauro Maccarrone, Dmitry B. Veprintsev, Marc Nazare, Uwe Grether, Erick Carreira

Version 1 posted 28 May 2020

897

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Analytical Chemistry

Working Paper

Performance Evaluation of In-source Ion Activation Hardware for Collision-Induced Unfolding of Proteins and Protein Complexes on a Drift Tube Ion Mobility-Mass Spectrometer

Varun Gadkari, Brock Juliano, Christopher Mallis, Jody May, Ruwan Kurulugama, John Fjeldsted, John McLean, David Russell, Brandon Ruotolo

Version 1 posted 05 September 2022

292

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Catalysis

Working Paper

Union Carbide Polymerization Catalysts: from Uncovering Active Site Structures to Designing Molecularly-Defined Analogs

David Trummer, Anna Nobile, Pierre-Adrien Payard, Anton Ashuiev, Yuya Kakiuchi, Daniel Klose, Gunnar Jeschke, Christophe Copéret

Version 2 posted 21 July 2022

542

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Theoretical and Computational Chemistry

Working Paper

Sensitivity of Molecular Dynamics Simulations to Equilibration Scheme: A Case Study of Bromodomain Protein BRD4-Ligand Complex System

Yunhui Ge, Gaetano Calabro, Christophe Bayly, David Mobley

Version 1 posted 08 September 2021

790

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Inorganic Chemistry

Working Paper

Electronic Structure and Excited State Dynamics of the NIR-II Emissive Molybdenum(III) Analog to the Molecular Ruby

Winald Kitzmann, David Hunger, Antti-Pekka Reponen, Christoph Förster, Roland Schoch, Matthias Bauer, Sascha Feldmann, Joris van Slageren, Katja Heinze

Version 1 posted 03 July 2023

401

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1

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Biological and Medicinal Chemistry

Working Paper

MELLODDY: cross pharma federated learning at unprecedented scale unlocks benefits in QSAR without compromising proprietary information

Wouter Heyndrickx, Lewis Mervin, Tobias Morawietz, Noé Sturm, Lukas Friedrich, Adam Zalewski, Anastasia Pentina, Lina Humbeck, Martijn Oldenhof, Ritsuya Niwayama, Peter Schmidtke, Nikolas Fechner, Jaak Simm, Adam Arany, Nicolas Drizard, Rama Jabal, Arina Afanasyeva, Regis Loeb, Shlok Verma, Simon Harnqvist, Matthew Holmes, Balasz Pejo, Maria Telenczuk, Nicholas Holway, Arne Dieckmann, Nicola Rieke, Friederike Zumsande, Djork-Arné Clevert, Michael Krug, Christopher Luscombe, Darren Green, Peter Ertl, Peter Antal, David Marcus, Nicolas Do Huu, Hideyoshi Fuji, Stephen Pickett, Gergely Acs, Eric Boniface, Bernd Beck, Yax Sun, Arnaud Gohier, Friedrich Rippmann, Ola Engkvist, Andreas H. Göller, Yves Moreau, Mathieu N. Galtier, Ansgar Schuffenhauer, Hugo Ceulemans

Version 1 posted 13 October 2022

2,282

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7

Citations

Inorganic Chemistry

Working Paper

Tuning Second Coordination Sphere Interactions in Polypyridyl–Iron Complexes to Achieve Selective Electrocatalytic Reduction of Carbon Dioxide to Carbon Monoxide

David Zee, Michael Nippe, Amanda King, Christopher Chang, Jeffrey R. Long

Version 1 posted 15 October 2019

772

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1

Citations

Refine Search

110 results in Christopher David in Authors: Christopher David

Structure-Activity Relationship Studies of Retro-1 Analogues Against Shiga Toxin

High Yielding Flow Synthesis of a Macrocyclic Molecular Hinge

MS2Mol: A transformer model for illuminating dark chemical space from mass spectra

Development of High-Specificity Fluorescent Probes to Enable Cannabinoid Type 2 Receptor Studies in Living Cells

Performance Evaluation of In-source Ion Activation Hardware for Collision-Induced Unfolding of Proteins and Protein Complexes on a Drift Tube Ion Mobility-Mass Spectrometer

Union Carbide Polymerization Catalysts: from Uncovering Active Site Structures to Designing Molecularly-Defined Analogs

Sensitivity of Molecular Dynamics Simulations to Equilibration Scheme: A Case Study of Bromodomain Protein BRD4-Ligand Complex System

Electronic Structure and Excited State Dynamics of the NIR-II Emissive Molybdenum(III) Analog to the Molecular Ruby

MELLODDY: cross pharma federated learning at unprecedented scale unlocks benefits in QSAR without compromising proprietary information

Tuning Second Coordination Sphere Interactions in Polypyridyl–Iron Complexes to Achieve Selective Electrocatalytic Reduction of Carbon Dioxide to Carbon Monoxide

110 results in Authors: Christopher David