Publications by authors named "Craig P Butts"

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Caylobolide B: Structure Revision, Total Synthesis, Biological Characterization, and Discovery of New Analogues.
Malcolm R P George, Lobna A Elsadek, Max Deering, Larissa Costa de Almeida, Jasper L Tyler, Craig P Butts

Angew Chem Int Ed Engl· December 2025

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A validated experimental NMR parameter dataset of organic molecules to assist benchmarking of 3D structure determination methods.
Claire L Dickson, Sadia Mohammed, Lyrelle S L Jones, Duncan J Crick, Wojciech Augustyniak, Craig P Butts

Analyst· June 2025

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IMPRESSION generation 2 - accurate, fast and generalised neural network model for predicting NMR parameters in place of DFT.
Calvin Yiu, Ben Honoré, Will Gerrard, Jose Napolitano-Farina, Dave Russell, Craig P Butts

Chem Sci· May 2025

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The combination of synthesis and ultra-high-resolution NMR spectroscopy reveals the correct structure of caylobolide A.
Malcolm R P George, Max Deering, Daniele Fiorito, Keren Solomon, Kevin Tidgewell, Craig P Butts

Nat Synth· March 2025

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Crystal Structure and NMR of an α,δ-Peptide Foldamer Helix Shows Side-Chains are Well Placed for Bifunctional Catalysis: Application as a Minimalist Aldolase Mimic.
Qi Lin, Hao Lan, Chunmiao Ma, Ryan T Stendall, Kenneth Shankland, Craig P Butts

Angew Chem Int Ed Engl· September 2023

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Crystal Structure and NMR of an α,δ-Peptide Foldamer Helix Shows Side-Chains are Well Placed for Bifunctional Catalysis: Application as a Minimalist Aldolase Mimic.
Qi Lin, Hao Lan, Chunmiao Ma, Ryan T Stendall, Kenneth Shankland, Craig P Butts

Angew Chem Weinheim Bergstr Ger· September 2023

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Conformationally Controlled sp -Hydrocarbon-Based α-Helix Mimetics.
Lydia I Dewis, Madhavachary Rudrakshula, Christopher Williams, Elisabetta Chiarparin, Eddie L Myers, Craig P Butts

Angew Chem Int Ed Engl· June 2023

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Prediction of N chemical shifts by machine learning.
Will Gerrard, Calvin Yiu, Craig P Butts

Magn Reson Chem· November 2022

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Accelerating quantitative C NMR spectra using an EXtended ACquisition Time (EXACT) method.
Zahra H Al-Aasmi, Alexandra Shchukina, Craig P Butts

Chem Commun (Camb)· July 2022

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Monitoring off-resonance signals with SHARPER NMR - the MR-SHARPER experiment.
Matthew Davy, Claire L Dickson, Ran Wei, Dusan Uhrín, Craig P Butts

Analyst· April 2022

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A community-powered search of machine learning strategy space to find NMR property prediction models.
Lars A Bratholm, Will Gerrard, Brandon Anderson, Shaojie Bai, Sunghwan Choi, Craig P Butts

PLoS One· November 2021

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Synthesis and pharmacological characterisation of arctigenin analogues as antagonists of AMPA and kainate receptors.
Lisa-Maria Rečnik, Robert J Thatcher, Shahida Mallah, Craig P Butts, Graham L Collingridge

Org Biomol Chem· November 2021

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Conformationally Controlled Linear and Helical Hydrocarbons Bearing Extended Side Chains.
Lin Guo, Oliver J Dutton, Murat Kucukdisli, Matthew Davy, Olivier Wagnières, Craig P Butts

J Am Chem Soc· October 2021

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Corrigendum: How Big is the Pinacol Boronic Ester as a Substituent?
Valerio Fasano, Aidan W McFord, Craig P Butts, Beatrice S L Collins, Natalie Fey

Angew Chem Int Ed Engl· September 2021

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3× Axial vs 3× Equatorial: The Δ Value Is a Robust Computational Measure of Substituent Steric Effects.
Aidan W McFord, Craig P Butts, Natalie Fey, Roger W Alder

J Am Chem Soc· September 2021

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How Big is the Pinacol Boronic Ester as a Substituent?
Valerio Fasano, Aidan W McFord, Craig P Butts, Beatrice S L Collins, Natalie Fey

Angew Chem Int Ed Engl· December 2020

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Carbonylative C-C Bond Activation of Aminocyclopropanes Using a Temporary Directing Group Strategy.
Gang-Wei Wang, Olga O Sokolova, Tom A Young, Ektor M S Christodoulou, Craig P Butts

J Am Chem Soc· November 2020

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Odd-even alternations in helical propensity of a homologous series of hydrocarbons.
Johan A Pradeilles, Siying Zhong, Márton Baglyas, György Tarczay, Craig P Butts

Nat Chem· May 2020

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Identification and quantification of myo-inositol hexakisphosphate in complex environmental matrices using ion chromatography and high-resolution mass spectrometry in comparison to P NMR spectroscopy.
Catherine A McIntyre, Jennifer J L Arkell, Christopher J Arthur, Paul G Lawrence, Craig P Butts

Talanta· April 2020

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IMPRESSION - prediction of NMR parameters for 3-dimensional chemical structures using machine learning with near quantum chemical accuracy.
Will Gerrard, Lars A Bratholm, Martin J Packer, Adrian J Mulholland, David R Glowacki, Craig P Butts

Chem Sci· January 2020

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Accelerated acquisition in pure-shift spectra based on prior knowledge from H NMR.
Alexandra Shchukina, Magdalena Kaźmierczak, Paweł Kasprzak, Matthew Davy, Geoffrey R Akien, Craig P Butts

Chem Commun (Camb)· August 2019

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High Resolution for Chemical Shifts and Scalar Coupling Constants: The 2D Real-Time J-Upscaled PSYCHE-DIAG.
Sebastian Tassoti, Predrag Novak, Craig P Butts, Klaus Zangger

Chemphyschem· November 2018

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Improved NOE fitting for flexible molecules based on molecular mechanics data - a case study with S-adenosylmethionine.
Jessica Bame, Casper Hoeck, Matthew J Carrington, Craig P Butts, Christof M Jäger

Phys Chem Chem Phys· March 2018

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The Story behind "Synergy of Synthesis, Computation, and NMR Reveals Correct Baulamycin Structures".
Paula Lorenzo, Craig P Butts, Eddie L Myers, Varinder K Aggarwal

Biochemistry· November 2017

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Perhydrohelicenes and other diamond-lattice based hydrocarbons: the choreography of inversion.
Roger W Alder, Craig P Butts, Richard B Sessions

Chem Sci· September 2017

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