Publications by authors named "Bruce MacDonald"

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Water Networks in Complexes between Proteins and FDA-Approved Drugs.
Marley L Samways, Hannah E Bruce Macdonald, Richard D Taylor, Jonathan W Essex

J Chem Inf Model· January 2023

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End-to-end differentiable construction of molecular mechanics force fields.
Yuanqing Wang, Josh Fass, Benjamin Kaminow, John E Herr, Dominic Rufa, Hannah E Bruce Macdonald

Chem Sci· October 2022

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Older adults' experiences and perceptions of living with Bomy, an assistive dailycare robot: a qualitative study.
Norina Gasteiger, Ho Seok Ahn, Christine Fok, JongYoon Lim, Christopher Lee, Bruce A MacDonald

Assist Technol· July 2022

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deepNIR: Datasets for Generating Synthetic NIR Images and Improved Fruit Detection System Using Deep Learning Techniques.
Inkyu Sa, Jong Yoon Lim, Ho Seok Ahn, Bruce MacDonald

Sensors (Basel)· June 2022

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Water molecules at protein-drug interfaces: computational prediction and analysis methods.
Marley L Samways, Richard D Taylor, Hannah E Bruce Macdonald, Jonathan W Essex

Chem Soc Rev· August 2021

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Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity.
Jessica L Thomaston, Marley L Samways, Athina Konstantinidi, Chunlong Ma, Yanmei Hu, Hannah E Bruce Macdonald

Biochemistry· August 2021

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Subsentence Extraction from Text Using Coverage-Based Deep Learning Language Models.
JongYoon Lim, Inkyu Sa, Ho Seok Ahn, Norina Gasteiger, Sanghyub John Lee, Bruce MacDonald

Sensors (Basel)· April 2021

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Testing dataset for head segmentation accuracy for the algorithms in the 'BGSLibrary' v3.0.0 developed by Andrews Sobral.
Seng Cheong Loke, Bruce A MacDonald, Matthew Parsons, Burkhard C Wünsche

Data Brief· December 2020

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grand: A Python Module for Grand Canonical Water Sampling in OpenMM.
Marley L Samways, Hannah E Bruce Macdonald, Jonathan W Essex

J Chem Inf Model· October 2020

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Correction: The Effect of Robot Attentional Behaviors on User Perceptions and Behaviors in a Simulated Health Care Interaction: Randomized Controlled Trial.
Deborah L Johanson, Ho Seok Ahn, Bruce A MacDonald, Byeong Kyu Ahn, JongYoon Lim

J Med Internet Res· March 2020

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The Effect of Robot Attentional Behaviors on User Perceptions and Behaviors in a Simulated Health Care Interaction: Randomized Controlled Trial.
Deborah L Johanson, Ho Seok Ahn, Bruce A MacDonald, Byeong Kyu Ahn, JongYoon Lim

J Med Internet Res· October 2019

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Developing assistive robots for people with mild cognitive impairment and mild dementia: a qualitative study with older adults and experts in aged care.
Mikaela Law, Craig Sutherland, Ho Seok Ahn, Bruce A MacDonald, Kathy Peri

BMJ Open· September 2019

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Reversible Sensorineural Hearing Loss Resulting from Hypertrophic Pachymeningitis in Systemic Lupus Erythematosus: A Case Report.
Molly Bullington, George Davies, C Bruce MacDonald

OTO Open· August 2019

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Enhancing the Dissolution Stability of Hard Gelatin Capsules Using Activated Carbon as a Packaging Component.
Michael D Likar, Sophia C Carroll, Stephen T Colgan, Thean Yeoh, Bruce C MacDonald

J Pharm Sci· December 2018

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Ligand Binding Free Energies with Adaptive Water Networks: Two-Dimensional Grand Canonical Alchemical Perturbations.
Hannah E Bruce Macdonald, Christopher Cave-Ayland, Gregory A Ross, Jonathan W Essex

J Chem Theory Comput· December 2018

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Validation of an accelerometer for measurement of activity in frail older people.
Nethra Ganesh Chigateri, Ngaire Kerse, Laurian Wheeler, Bruce MacDonald, Jochen Klenk

Gait Posture· October 2018

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Prediction of the Closed Conformation and Insights into the Mechanism of the Membrane Enzyme LpxR.
Graham M Smeddle, Hannah E Bruce Macdonald, Jonathan W Essex, Syma Khalid

Biophys J· October 2018

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Using Robots at Home to Support Patients With Chronic Obstructive Pulmonary Disease: Pilot Randomized Controlled Trial.
Elizabeth Broadbent, Jeff Garrett, Nicola Jepsen, Vickie Li Ogilvie, Ho Seok Ahn, Bruce MacDonald

J Med Internet Res· February 2018

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Homecare Robots to Improve Health and Well-Being in Mild Cognitive Impairment and Early Stage Dementia: Results From a Scoping Study.
Margot Darragh, Ho Seok Ahn, Bruce MacDonald, Amy Liang, Kathryn Peri

J Am Med Dir Assoc· December 2017

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Replica-Exchange and Standard State Binding Free Energies with Grand Canonical Monte Carlo.
Gregory A Ross, Hannah E Bruce Macdonald, Christopher Cave-Ayland, Ana I Cabedo Martinez, Jonathan W Essex

J Chem Theory Comput· December 2017

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A Pilot Randomized Trial of a Companion Robot for People With Dementia Living in the Community.
Amy Liang, Isabell Piroth, Hayley Robinson, Bruce MacDonald, Mark Fisher

J Am Med Dir Assoc· October 2017

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Modeling of in-use stability for tablets and powders in bottles.
Kenneth C Waterman, Lili Chen, Philip Waterman, Bruce C MacDonald, Andrew P Monahan

Drug Dev Ind Pharm· October 2016

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Peri-implant bony overgrowth as a cause of revision surgery in auditory osseointegrated implantation.
Jared J Tompkins, Dana K Petersen, Daniel D Sharbel, Brian J McKinnon, C Bruce MacDonald

Int J Pediatr Otorhinolaryngol· July 2016

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Use of Activated Carbon in Packaging to Attenuate Formaldehyde-Induced and Formic Acid-Induced Degradation and Reduce Gelatin Cross-Linking in Solid Dosage Forms.
Stephen T Colgan, Todd C Zelesky, Raymond Chen, Michael D Likar, Bruce C MacDonald

J Pharm Sci· July 2016

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Chemisorption Mechanism of DNA on Mg/Fe Layered Double Hydroxide Nanoparticles: Insights into Engineering Effective SiRNA Delivery Systems.
Mingsheng Lu, Zhi Shan, Kori Andrea, Bruce MacDonald, Stefanie Beale

Langmuir· March 2016

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