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- 2025
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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
The CuB site in particulate methane monooxygenase may be used to produce hydrogen peroxide
(
- Contribution to journal › Article
- 2024
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Mark
H2 formation from the E2–E4 states of nitrogenase
(
- Contribution to journal › Article
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Mark
Quantum refinement in real and reciprocal space using the Phenix and ORCA software
(
- Contribution to journal › Article
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Mark
Investigating the Substrate Oxidation Mechanism in Lytic Polysaccharide Monooxygenase : H2O2- versus O2-Activation
(
- Contribution to journal › Article
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Mark
CO Oxidation Mechanism of Silver-Substituted Mo/Cu CO-Dehydrogenase – Analogies and Differences to the Native Enzyme
(
- Contribution to journal › Article
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Mark
Rubus wahlbergii and related species in Sweden
(
- Contribution to journal › Article
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Mark
Convergence criteria for single-step free-energy calculations : the relation between the Π bias measure and the sample variance
(
- Contribution to journal › Article
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Mark
Putative reaction mechanism of nitrogenase with a half-dissociated S2B ligand
(
- Contribution to journal › Article
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Mark
Unraveling the Binding Mode of Cyclic Adenosine–Inosine Monophosphate (cAIMP) to STING through Molecular Dynamics Simulations
(
- Contribution to journal › Article