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David A. Winkler

Commonwealth Scientific and Industrial Research Organisation
La Trobe University
Monash University

294

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6505

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Feature importance in machine learning models: A fuzzy information fusion approach

2022 Neurocomputing
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A systematic comparison of the structural and dynamic properties of commonly used water models for molecular dynamics simulations

2021 ChemRxiv
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In silico comparison of SARS-CoV-2 spike protein-ACE2 binding affinities across species and implications for virus origin.

2021 Scientific Reports
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Computationally repurposed drugs and natural products against RNA dependent RNA polymerase as potential COVID-19 therapies

2021
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Discovery of Synergistic Material-Topography Combinations to Achieve Immunomodulatory Osteoinductive Biomaterials using a novel in vitro screening method: the ChemoTopoChip

2021 Biomaterials
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Exploring structure-property relationships in magnesium dissolution modulators

2021
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Use of metamodels for rapid discovery of narrow bandgap oxide photocatalysts.

2021 iScience
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Potent In Vitro Peptide Antagonists of the Thrombopoietin Receptor as Potential Myelofibrosis Drugs

2021
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Systematic Comparison of the Structural and Dynamic Properties of Commonly Used Water Models for Molecular Dynamics Simulations.

2021 Journal of Chemical Information and Modeling
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Active Learning in Bayesian Neural Networks for Bandgap Predictions of Novel Van der Waals Heterostructures

2021
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