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Theoretical and Computational Chemistry

Working Paper

The FFLUX Water Model: Flexible, Polarizable and with a Multipolar Description of Electrostatics

Zak E. Hughes, emmanuel ren, Joseph C. R. Thacker, benjamin symons, arnaldo silva, Paul Popelier

Version 1 posted 18 June 2019

459

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Theoretical and Computational Chemistry

Working Paper

MetalWalls: A Classical Molecular Dynamics Software Dedicated to the Simulation of Electrochemical Systems

Abel Marin-Laflèche, Matthieu Haefele, Laura Scalfi, Alessandro Coretti, Thomas Dufils, Guillaume Jeanmairet, Stewart Reed, Alessandra Serva, Roxanne Berthin, Camille Bacon, Sara Bonella, Benjamin Rotenberg, Paul Anthony Madden, Mathieu Salanne

Version 1 posted 02 June 2020

852

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1

Citations

Inorganic Chemistry

Working Paper

Electronic Structure Modulation in Cationic Boron Formazanate Complexes

Ryan Maar, Benjamin D. Katzman, Paul D. Boyle, Viktor N. Staroverov, Joe Gilroy

Version 1 posted 21 October 2020

401

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Physical Chemistry

Working Paper

Tautomerisation Mechanisms in the Adenine-Thymine Nucleobase Pair During DNA Strand Separation

Benjamin King, Max Winokan, Paul Stevenson, Jim Al-Khalili, Louie Slocombe, Marco Sacchi

Version 1 posted 08 November 2022

260

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Physical Chemistry

Working Paper

Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid QM-MM Simulations

Paul Clabaut, Benjamin Schweitzer, Andreas Goetz, Carine Michel, Stephan Steinmann

Version 2 posted 03 September 2020

884

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Organometallic Chemistry

Working Paper

Balancing Bulkiness in Gold(I) Phosphino-Triazole Catalysis

Yiming Zhao, Matthew Wakeling, Fernanda Meloni, Tze Jing Sum, Huy van Nguyen, Benjamin Buckley, Paul Davies, John Fossey

Version 1 posted 13 June 2019

406

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Analytical Chemistry

Working Paper

REverSe TRanscrIptase Chain Termination (RESTRICT) for Selective Measurement of Nucleotide Analogs Used in HIV Care and Prevention

Ayokunle Oluwafemi Olanrewaju, Benjamin Sullivan, Alicia Gim, Derin Sevenler, Andrew Bender, Paul Drain, Jonathan Posner

Version 1 posted 20 September 2021

197

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Biological and Medicinal Chemistry

Working Paper

Design of a potent, selective and brain penetrant inhibitor of Wnt-deactivating enzyme Notum by optimization of a crystallographic fragment hit

Nicky Willis, William Mahy, James Sipthorp, Yuguang Zhao, Hannah Woodward, Benjamin Atkinson, Elliott Bayle, Fredrik Svensson, Sarah Frew, Fiona Jeganathan, Amy Monaghan, Stefano Benvegnu, Sarah Jolly, Luca Vecchia, Reinis Ruza, Svend Kjaer, Steven Howell, Ambrosius Snidjers, Magda Bictash, Patricia Salinas, Jean-Paul Vincent, Yvonne Jones, Paul Whiting, Paul Fish

Version 1 posted 16 March 2022

298

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Catalysis

Working Paper

Platinum Graphene Catalytic Condenser for Millisecond Programmable Metal Surfaces

Tzia Ming Onn, Sallye Gathmann, Silu Guo, Surya Pratap S. Solanki, Amber Walton, Benjamin Page, Geoffrey Rojas, Matthew Neurock, Lars C. Grabow, K. Andre Mkhoyan, Omar A. Abdelrahman, C. Daniel Frisbie, Paul Dauenhauer

Version 2 posted 06 September 2022

556

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Biological and Medicinal Chemistry

Working Paper

Large-scale synthesis of Notum inhibitor 1-(2,4-dichloro-3-(trifluoromethyl)-phenyl)-1H-1,2,3-triazole (ARUK3001185) employing a modified Sakai reaction as the key step

Benjamin N. Atkinson, Nicky J. Willis, Jennifer Smith, Rebecca Gill, Jody Ali, Zhou Xu, Ping-Shan Lai, Paul V. Fish

Version 1 posted 06 July 2022

432

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16 results in Benjamin Paul in Authors: Benjamin Paul

The FFLUX Water Model: Flexible, Polarizable and with a Multipolar Description of Electrostatics

MetalWalls: A Classical Molecular Dynamics Software Dedicated to the Simulation of Electrochemical Systems

Electronic Structure Modulation in Cationic Boron Formazanate Complexes

Tautomerisation Mechanisms in the Adenine-Thymine Nucleobase Pair During DNA Strand Separation

Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid QM-MM Simulations

Balancing Bulkiness in Gold(I) Phosphino-Triazole Catalysis

REverSe TRanscrIptase Chain Termination (RESTRICT) for Selective Measurement of Nucleotide Analogs Used in HIV Care and Prevention

Design of a potent, selective and brain penetrant inhibitor of Wnt-deactivating enzyme Notum by optimization of a crystallographic fragment hit

Platinum Graphene Catalytic Condenser for Millisecond Programmable Metal Surfaces

Large-scale synthesis of Notum inhibitor 1-(2,4-dichloro-3-(trifluoromethyl)-phenyl)-1H-1,2,3-triazole (ARUK3001185) employing a modified Sakai reaction as the key step

16 results in Authors: Benjamin Paul