Publications by authors named "Angela F Harper"

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Tracking Li atoms in real-time with ultra-fast NMR simulations.
Angela F Harper, Tabea Huss, Simone S Köcher, Christoph Scheurer

Faraday Discuss· January 2025

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The EFG Rosetta Stone: translating between DFT calculations and solid state NMR experiments.
Javier Valenzuela Reina, Federico Civaia, Angela F Harper, Christoph Scheurer, Simone S Köcher

Faraday Discuss· January 2025

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Generating models that describe complex disorder: general discussion.
Sharon E Ashbrook, Frédéric Blanc, Steven P Brown, Thibault Charpentier, Martin Dracinsky, Angela F Harper

Faraday Discuss· January 2025

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Big data and simulations in NMR crystallography: general discussion.
Sharon E Ashbrook, Gregory J O Beran, Jan Blahut, Frédéric Blanc, Carlos Bornes, Angela F Harper

Faraday Discuss· January 2025

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Understanding dynamics and mechanisms: general discussion.
Sharon E Ashbrook, Jan Blahut, Frédéric Blanc, Lee Brammer, Thibault Charpentier, Angela F Harper

Faraday Discuss· January 2025

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Modelling amorphous materials a joint solid-state NMR and X-ray absorption spectroscopy and DFT approach: application to alumina.
Angela F Harper, Steffen P Emge, Pieter C M M Magusin, Clare P Grey, Andrew J Morris

Chem Sci· February 2023

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Computational Investigation of Copper Phosphides as Conversion Anodes for Lithium-Ion Batteries.
Angela F Harper, Matthew L Evans, Andrew J Morris

Chem Mater· August 2020

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An approach to functionally relevant clustering of the protein universe: Active site profile-based clustering of protein structures and sequences.
Stacy T Knutson, Brian M Westwood, Janelle B Leuthaeuser, Brandon E Turner, Don Nguyendac, Angela F Harper

Protein Sci· April 2017

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An Atlas of Peroxiredoxins Created Using an Active Site Profile-Based Approach to Functionally Relevant Clustering of Proteins.
Angela F Harper, Janelle B Leuthaeuser, Patricia C Babbitt, John H Morris, Thomas E Ferrin

PLoS Comput Biol· February 2017

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DASP3: identification of protein sequences belonging to functionally relevant groups.
Janelle B Leuthaeuser, John H Morris, Angela F Harper, Thomas E Ferrin, Patricia C Babbitt

BMC Bioinformatics· November 2016

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