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Josh V. Vermaas

University of Illinois at Urbana–Champaign
National Renewable Energy Laboratory

49

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Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease

2021 Chemical Science
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Molecular Lignin Solubility and Structure in Organic Solvents

2020 ACS Sustainable Chemistry & Engineering
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Data-guided Multi-Map variables for ensemble refinement of molecular movies.

2020 Journal of Chemical Physics
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GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research

2020 arXiv: Biomolecules
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GPU-Accelerated Drug Discovery with Docking on the Summit Supercomputer: Porting, Optimization, and Application to COVID-19 Research

2020 BIOINFORMATICS | International Conference on Bioinformatics
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Data-guided Multi-Map variables for ensemble refinement of molecular movies

2020 bioRxiv
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The Dissociation Mechanism of the Processive Cellulase TrCel7A

2020 Biophysical Journal
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Mesoscale reaction-diffusion phenomena governing lignin-first biomass fractionation.

2020 Chemsuschem
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The dissociation mechanism of processive cellulases

2019 Proceedings of the National Academy of Sciences of the United States of America
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Lignin-Cellulose Binding Affinity Dependence on Cellulose Face and Lignin Composition

2019 Biophysical Journal
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