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Michael L. Klein

University of Pennsylvania
Temple University
Oregon Health & Science University

961

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Chopin and his World. Ed. by Jonathan D. Bellman and Halina Goldberg

2021 Music & Letters
- Michael L. Klein
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Effect of water frustration on water oxidation catalysis in the nanoconfined interlayers of layered manganese oxides birnessite and buserite

2021 Journal of Materials Chemistry
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Modeling liquid water by climbing up Jacob's ladder in density functional theory facilitated by using deep neural network potentials.

2021 arXiv: Chemical Physics
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Importance of nuclear quantum effects on the hydration of chloride ion

2021 Physical Review Materials
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Regulation and drug modulation of a voltage-gated sodium channel: Pivotal role of the S4-S5 linker in activation and slow inactivation.

2021 Proceedings of the National Academy of Sciences of the United States of America
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Targeting SARS-CoV-2 M3CLpro by HCV NS3/4a Inhibitors: In Silico Modeling and In Vitro Screening.

2021 Journal of Chemical Information and Modeling
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Chain-End Modification: A Starting Point for Controlling Polymer Crystal Nucleation

2021 Macromolecules
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Modeling liquid water by climbing up Jacob's ladder in density functional theory facilitated by deep neural network

2021 Bulletin of the American Physical Society
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Discovery of Novel Small-Molecule Inhibitors of SARS-CoV-2 Main Protease as Potential Leads for COVID-19 Treatment.

2021 Journal of Chemical Information and Modeling
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Investigations of water/oxide interfaces by molecular dynamics simulations

2021 Wiley Interdisciplinary Reviews: Computational Molecular Science
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