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- 2018
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Mark
Predicting Relative Binding Affinity Using Nonequilibrium QM/MM Simulations
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- Contribution to journal › Article
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Influence of the protein and DFT method on the broken-symmetry and spin states in nitroge
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- Contribution to journal › Article
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Relative Ligand-Binding Free Energies Calculated from Multiple Short QM/MM MD Simulations
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- Contribution to journal › Article
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Quantum Crystallography: Current Developments and Future Perspectives
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- Contribution to journal › Article
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Soft-tissue evidence for homeothermy and crypsis in a Jurassic ichthyosaur
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- Contribution to journal › Article
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Reaction Mechanism of [NiFe] Hydrogenase Studied by Computational Methods
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- Contribution to journal › Article
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Protonation and Reduction of the FeMo Cluster in Nitrogenase Studied by Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations
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- Contribution to journal › Article
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Hydration-Dependent Hierarchical Structures in Block Copolymer-Surfactant Complex Salts
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- Contribution to journal › Article
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Kare Larsson 27/2 1937-25/3 2018 In Memorandum
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- Contribution to journal › Article
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Multiscale study of crystal and electronic structure of Al defects in concrete
2018) International Conference of Computational Methods in Sciences and Engineering 2018, ICCMSE 2018 2040.(
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding