Publications by authors named "I J Wall"

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Active Learning FEP: Impact on Performance of AL Protocol and Chemical Diversity.
Richard Lonsdale, Jack Glancy, Leen Kalash, David Marcus, Ian D Wall

J Chem Theory Comput· May 2025

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Neural stem cell-derived extracellular vesicles purified by monolith chromatography retain stimulatory effect in in vitro scratch assay.
Ivano Luigi Colao, Randolph L Corteling, Daniel G Bracewell, Ivan B Wall

Cytotherapy· March 2025

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Multifunctional gallium doped bioactive glasses: a targeted delivery for antineoplastic agents and tissue repair against osteosarcoma.
Shirin B Hanaei, Raghavan C Murugesan, Lucas P Souza, Juan I Cadiz-Miranda, Lee Jeys, Ivan B Wall

Biomed Mater· September 2024

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Structure- and Property-Based Optimization of Efficient Pan-Bromodomain and Extra Terminal Inhibitors to Identify Oral and Intravenous Candidate I-BET787.
David J Hirst, Paul Bamborough, Niam Al-Mahdi, Davina C Angell, Heather A Barnett, Ian D Wall

J Med Chem· June 2024

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Enhancing torsional sampling using fully adaptive simulated tempering.
Miroslav Suruzhon, Khaled Abdel-Maksoud, Michael S Bodnarchuk, Antonella Ciancetta, Ian D Wall

J Chem Phys· April 2024

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