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- 2018
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Mark
Prediction of binding poses to FXR using multi-targeted docking combined with molecular dynamics and enhanced sampling
(
- Contribution to journal › Article
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Mark
Systematic Tuning of Fluoro-galectin-3 Interactions Provides Thiodigalactoside Derivatives with Single-Digit nM Affinity and High Selectivity
(
- Contribution to journal › Article
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Mark
Aggregate Size Dependence of Amyloid Adsorption onto Charged Interfaces
(
- Contribution to journal › Article
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Mark
Designing interactions by control of protein-ligand complex conformation : Tuning arginine-arene interaction geometry for enhanced electrostatic protein-ligand interactions
(
- Contribution to journal › Article
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Mark
Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design
(
- Contribution to journal › Article
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Mark
Can MM/GBSA calculations be sped up by system truncation?
(
- Contribution to journal › Article
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Mark
Protein-water interactions studied by molecular dynamics simulations
2018)(
- Thesis › Doctoral thesis (compilation)
- 2017
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Mark
The Dynameomics Entropy Dictionary : A Large-Scale Assessment of Conformational Entropy across Protein Fold Space
(
- Contribution to journal › Article
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Mark
Dynamics of Aromatic Side Chains in the Active Site of FKBP12
(
- Contribution to journal › Article
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Mark
Structural model of dodecameric heat-shock protein Hsp21 : Flexible N-terminal arms interact with client proteins while C-terminal tails maintain the dodecamer and chaperone activity
(
- Contribution to journal › Article