Publications by authors named "Richard Bryce"

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Effect of C-Terminal Residue on the Phase Behavior and Properties of β-Sheet Forming Self-Assembling Peptide Hydrogels.
Nastaran Zoghi, Chao-Yu Yang, Richard Bryce, Aline F Miller, Alberto Saiani

Biomacromolecules· October 2025

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FibrilGen: A Python Package for Atomistic Modeling of Peptide β-Sheet Nanostructures.
Chao-Yu Yang, Aline F Miller, Alberto Saiani, Richard A Bryce

J Chem Inf Model· October 2025

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Guanine is an inhibitor of c-jun terminal kinases.
Jessica Treeby, Sherihan El-Sayed, Samuel Morgan, Sophie Maddock, George Taylor, Richard A Bryce

Sci Rep· August 2025

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Discriminating High from Low Energy Conformers of Druglike Molecules: An Assessment of Machine Learning Potentials and Quantum Chemical Methods.
Linghan Kong, Richard A Bryce

Chemphyschem· April 2025

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The need to implement FAIR principles in biomolecular simulations.
Rommie E Amaro, Johan Åqvist, Ivet Bahar, Federica Battistini, Adam Bellaiche, Richard A Bryce

Nat Methods· April 2025

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Virtual screening-led design of inhibitor scaffolds for the NLRP3 inflammasome.
Sherihan El-Sayed, Emily McMahon, Sondos Musleh, Sally Freeman, David Brough, Richard A Bryce

Bioorg Chem· December 2024

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Discovery of Potent Benzothiazole Inhibitors of Oxidoreductase NQO2, a Target for Inflammation and Cancer.
Asma A Belgath, Aya M Emam, Joshua Taujanskas, Richard A Bryce, Sally Freeman

Int J Mol Sci· November 2024

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Analysis of Glycan Recognition by Concanavalin A Using Absolute Binding Free Energy Calculations.
Sondos Musleh, Irfan Alibay, Philip C Biggin, Richard A Bryce

J Chem Inf Model· October 2024

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SARS-CoV-2 inhibitory potential of fish oil-derived 2-pyrone compounds by acquiring linoleic acid binding site on the spike protein.
Nandkishor Duragkar, Rupesh Chikhale, Malgorzata Piechota, Chhanda Charan Danta, Pradeep Gandhale, Richard Bryce

Int J Biol Macromol· August 2024

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Structural determination of oleanane-28,13β-olide and taraxerane-28,14β-olide fluoro-lactonization products from the reaction of oleanolic acid with Selectfluor.
Megan A Eadsforth, Linghan Kong, George Whitehead, Iñigo J Vitórica-Yrezábal, Raymond T O'Keefe, Richard A Bryce

Acta Crystallogr E Crystallogr Commun· August 2024

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Stable and accurate atomistic simulations of flexible molecules using conformationally generalisable machine learned potentials.
Christopher D Williams, Jas Kalayan, Neil A Burton, Richard A Bryce

Chem Sci· August 2024

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Boosting the Accuracy and Chemical Space Coverage of the Detection of Small Colloidal Aggregating Molecules Using the BAD Molecule Filter.
Abdallah Abou Hajal, Richard A Bryce, Boulbaba Ben Amor, Noor Atatreh, Mohammad A Ghattas

J Chem Inf Model· July 2024

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Chronic Cellulitis in the Unhoused: Case Study and Treatment Considerations.
Amelia Klamen, Richard Bryce, Symone Martin, Eli Benchell Eisman

J Prim Care Community Health· July 2024

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A neural network potential based on pairwise resolved atomic forces and energies.
Jas Kalayan, Ismaeel Ramzan, Christopher D Williams, Richard A Bryce, Neil A Burton

J Comput Chem· May 2024

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Molecular dynamics simulations as a guide for modulating small molecule aggregation.
Azam Nesabi, Jas Kalayan, Sara Al-Rawashdeh, Mohammad A Ghattas, Richard A Bryce

J Comput Aided Mol Des· March 2024

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Brazilin is a natural product inhibitor of the NLRP3 inflammasome.
Emily McMahon, Sherihan El-Sayed, Jack Green, Christopher Hoyle, Lorna FitzPatrick, Richard A Bryce

iScience· February 2024

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Cellulose Iβ microfibril interaction with pristine graphene in water: Effects of amphiphilicity by molecular simulation.
Linghan Kong, Rasha Alqus, Chin W Yong, Ilian Todorov, Stephen J Eichhorn, Richard A Bryce

J Mol Graph Model· January 2023

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From the archives: the origins of a society and a journal for the field of molecular graphics and modelling.
Richard A Bryce, James A Platts

J Mol Graph Model· December 2022

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Modeling pyranose ring pucker in carbohydrates using machine learning and semi-empirical quantum chemical methods.
Linghan Kong, Richard A Bryce

J Comput Chem· November 2022

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Probing the effect of NEK7 and cofactor interactions on dynamics of NLRP3 monomer using molecular simulation.
Sherihan El-Sayed, Sally Freeman, Richard A Bryce

Protein Sci· October 2022

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A Selective Review and Virtual Screening Analysis of Natural Product Inhibitors of the NLRP3 Inflammasome.
Sherihan El-Sayed, Sally Freeman, Richard A Bryce

Molecules· September 2022

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Structure-based assessment and druggability classification of protein-protein interaction sites.
Lara Alzyoud, Richard A Bryce, Mohammad Al Sorkhy, Noor Atatreh, Mohammad A Ghattas

Sci Rep· May 2022

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The Phase II MutHER Study of Neratinib Alone and in Combination with Fulvestrant in HER2-Mutated, Non-amplified Metastatic Breast Cancer.
Cynthia X Ma, Jingqin Luo, Rachel A Freedman, Timothy J Pluard, Julie R Nangia, Richard Bryce

Clin Cancer Res· April 2022

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SAR of Novel 3-Arylisoquinolinones: -Substitution on the Aryl Ring Dramatically Enhances Antiproliferative Activity through Binding to Microtubules.
Mai A Elhemely, Asma A Belgath, Sherihan El-Sayed, Kepa K Burusco, Manikandan Kadirvel, Richard A Bryce

J Med Chem· March 2022

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Getting the word out: Methods of learning about research and motivations for participation in a study focusing on a reproductive-aged Latina/x population.
Nicole M Sekula, Torie C Plowden, Anne Waldo, Richard Bryce, Maricela Castillo-Mackenzie

J Clin Transl Sci· January 2022

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