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- 2024
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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
- 2023
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Mark
Comparison of force fields to study the zinc-finger containing protein NPL4, a target for disulfiram in cancer therapy
(
- Contribution to journal › Article
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Mark
Two local minima for structures of [4Fe–4S] clusters obtained with density functional theory methods
(
- Contribution to journal › Article
- 2016
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Mark
Converging ligand-binding free energies obtained with free-energy perturbations at the quantum mechanical level
(
- Contribution to journal › Article
- 2015
-
Mark
Multiscale Modeling of the Active Site of [Fe] Hydrogenase: The H-2 Binding Site in Open and Closed Protein Conformations
(
- Contribution to journal › Article
- 2004
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Mark
The protonation status of compound II in myoglobin, studied by a combination of experimental data and quantum chemical calculations: Quantum refinement
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- Contribution to journal › Article
- 1999
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Mark
Nuclear quadrupole interactions in cadmium complexes : Semiempirical and ab initio calculations
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- Contribution to journal › Article
- 1989
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Mark
On the regulatory significance of inhibitors acting on non‐equilibrium enzymes in the Calvin photosynthesis cycle
(
- Contribution to journal › Article