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Theoretical and Computational Chemistry

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Evolving and Nano Data Enabled Machine Intelligence for Chemical Reaction Optimization

Daniel Reker, Gonçalo Bernardes, Tiago Rodrigues

Version 1 posted 02 November 2018

1,805

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Materials Chemistry

Working Paper

Interfacial bonding between a crystalline metal-organic framework and an inorganic glass

Celia Castillo, Ashleigh Chester, Ronan P. Cosquer, Adam Sapnik, Lucia Corti, Roman Sajzew, Bruno Poletto Rodrigues, Georgina Robertson, Daniel Irving, Lauren McHugh, Lothar Wondraczek, Frédéric Blanc, David A. Keen, Thomas D Bennett

Version 1 posted 25 April 2023

353

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Theoretical and Computational Chemistry

Working Paper

Using AlphaFold and Experimental Structures for the Prediction of the Structure and Binding Affinities of GPCR Complexes via Induced Fit Docking and Free Energy Perturbation

Dilek Coskun, Muyun Lihan, Joao Rodrigues, Marton Vass, Daniel Robinson, Richard Friesner, Edward Miller

Version 3 posted 03 August 2023

1,079

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Biological and Medicinal Chemistry

Working Paper

First-in-class metallo-PROTAC as an effective degrader of select Pt-binding proteins

Paul O'Dowd, Graeme Sullivan, Daniel Rodrigues, Tríona Ní Chonghaile, Darren Griffith

Version 1 posted 26 June 2023

260

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Analytical Chemistry

Working Paper

Detection of a SARS-CoV-2 Sequence with Genosensors Using Data Analysis Based on Information Visualization and Machine Learning Techniques

Juliana Coatrini Soares, Andrey Coatrini Soares, Valquiria Cruz Rodrigues, Pedro Ramon Almeida Oiticica, Paulo Augusto Raymundo-Pereira, José L. Bott-Neto, Lorenzo Antonio Buscaglia, Lucas Daniel Chiba Castro, Lucas Correia Ribas, Leonardo Scabini, Laís Canniatti Brazaca, Daniel Souza Correa, Luiz Henrique Capparelli Mattoso, Maria Cristina Ferreira de Oliveira, André Ponce Leon Ferreira Carvalho, Emanuel Carrilho, Odemir Matinez Bruno, Matias Melendez, Osvaldo N. Oliveira Jr

Version 1 posted 14 December 2020

840

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Organic Chemistry

Working Paper

Synthesis of Bench-Stable N-Quaternized Ketene N,O-Acetals and Preliminary Evaluation as Reagents in Organic Synthesis

Danielle L. McConnell, Alisha M. Blades, Danielle Gomes Rodrigues, Phoebe V. Keyes, Justin C. Sonberg, Caitlin E. Anthony, Sofia Rachad, Olivia M. Simone, Caroline F. Sullivan, Jonathan D. Shapiro, Christopher C. Williams, Benjamin C. Schafer, Amy Glanzer, Holly Hutchinson, Ashley Thayaparan, Zoe Krevlin, Isabella Bote, Yasin Haffary, Sambat Bhandari, Jack A. Goodman, Max Majireck

Version 2 posted 26 July 2021

1,082

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Materials Science

Working Paper

Synthesis and characterisation of metal-organic framework-inorganic glass hybrid blends

Ashleigh Chester, Celia Castillo-Blas, Roman Sajzew, Bruno Rodrigues, Ruben Mas Balleste, Alicia Moya, Jessica Snelson, Sean Collins, Adam Sapnik, Georgina Robertson, Daniel Irving, Lothar Wondraczek, David Keen, Thomas Bennett

Version 1 posted 09 May 2023

257

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Inorganic Chemistry

Working Paper

Click-Capable Phenanthriplatin Derivatives as Tools to Study Pt(II)-Induced Nucleolar Stress

Paul O'Dowd, Andres Guerrero, Hannah Pigg, Katelyn Alley, Fiona O’Neill, Justine Meiller, Chloe Hobbs, Daniel Rodrigues, Brendan Twamley, Finbarr O’Sullivan, Victoria DeRose, Darren Griffith

Version 1 posted 10 October 2023

145

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8 results in Daniel Rodrigues in Authors: Daniel Rodrigues

Evolving and Nano Data Enabled Machine Intelligence for Chemical Reaction Optimization

Interfacial bonding between a crystalline metal-organic framework and an inorganic glass

Using AlphaFold and Experimental Structures for the Prediction of the Structure and Binding Affinities of GPCR Complexes via Induced Fit Docking and Free Energy Perturbation

First-in-class metallo-PROTAC as an effective degrader of select Pt-binding proteins

Detection of a SARS-CoV-2 Sequence with Genosensors Using Data Analysis Based on Information Visualization and Machine Learning Techniques

Synthesis of Bench-Stable N-Quaternized Ketene N,O-Acetals and Preliminary Evaluation as Reagents in Organic Synthesis

Synthesis and characterisation of metal-organic framework-inorganic glass hybrid blends

Click-Capable Phenanthriplatin Derivatives as Tools to Study Pt(II)-Induced Nucleolar Stress

8 results in Authors: Daniel Rodrigues