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- 2018
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Mark
Assessing the stability of free-energy perturbation calculations by performing variations in the method
(
- Contribution to journal › Article
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Mark
Utilizing Coarse-Grained Modeling and Monte Carlo Simulations to Evaluate the Conformational Ensemble of Intrinsically Disordered Proteins and Regions
(
- Contribution to journal › Article
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Mark
Uncontracted basis sets for ab initio calculations of muonic atoms and molecules
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- Contribution to journal › Article
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Mark
Protein-water interactions studied by molecular dynamics simulations
2018)(
- Thesis › Doctoral thesis (compilation)
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Mark
A classical density functional theory for the asymmetric restricted primitive model of ionic liquids
(
- Contribution to journal › Article
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Mark
Predicting Relative Binding Affinity Using Nonequilibrium QM/MM Simulations
(
- Contribution to journal › Article
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Mark
Influence of the protein and DFT method on the broken-symmetry and spin states in nitroge
(
- Contribution to journal › Article
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Mark
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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Mark
Quantum Crystallography: Current Developments and Future Perspectives
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- Contribution to journal › Article
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Mark
Generalized van der Waals Theory of Molecular Fluids in Bulk and at Surfaces
2018)(
- Book/Report › Book