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- 2025
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Mark
Predicting Reduction Potentials of Blue Copper Proteins Using Quantum Mechanical Calculations
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- Contribution to journal › Article
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Exploring the high sensitivity of DFT thermochemistry for protonation states of a ferredoxin model complex [ C H 3 S 4 Fe 2 III S 2 H ] −
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- Contribution to journal › Article
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Mark
Receptor Binding for the Entry Mechanisms of SARS-CoV-2 : Insights from the Original Strain and Emerging Variants
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- Contribution to journal › Scientific review
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Conversion of glutamate into proline by the leucine analog BCH enhances biphasic insulin secretion in pancreatic β-cells
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- Contribution to journal › Article
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Mark
Synthesis of Siphonazole B Through Domino Cycloisomerization-Oxazolonium Ion Rearrangements
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- Contribution to journal › Article
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Mark
Base-Promoted Homolytic Aromatic Substitution (BHAS) Reactions and Hydrodehalogenations Driven by Green Light and an Iron(III)-NHC Photoredox Catalyst
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- Contribution to journal › Article
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Mark
Redefining the Limits of Functional Continuity in the Early Evolution of P-Loop NTPases
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- Contribution to journal › Article
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Universal Framework for Multiconfigurational DFT
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- Contribution to journal › Article
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Push-pull amino-substituted heteroleptic iron N-heterocyclic carbene photosensitizers in dye-sensitized solar cells : optimization and characteristics
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- Contribution to journal › Article
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Mark
A multiscale in situ time-resolved study of the nano- to millisecond structural dynamics during protein crystallization
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- Contribution to journal › Article