Computational Chemistry
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- 2025
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Mark
Lysozyme revisited
(
- Contribution to journal › Debate/Note/Editorial
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Strong electrostatic attraction drives milk heteroprotein complex coacervation
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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
(
- Contribution to journal › Article
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Mark
Metal preference of glyoxalase II, a quantum mechanics/molecular mechanics study
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- Contribution to journal › Article
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Mark
Exceptionally Strong Double-Layer Barriers Generated by Polyampholyte Salt
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- Contribution to journal › Article
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Mark
The CuB site in particulate methane monooxygenase may be used to produce hydrogen peroxide
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- Contribution to journal › Article
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Mark
Embedded cluster approach for accurate electronic structure calculations of 229Th :CaF2
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- Contribution to journal › Article
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Mark
Impact of Varying Velocities and Solvation Boxes on Alchemical Free-Energy Simulations
2025) In Journal of Chemical Information and Modeling(
- Contribution to journal › Article
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Mark
Coherent photoproduction of light vector mesons off nuclear targets in the dipole picture
(
- Contribution to journal › Article