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Expanding the Toolbox for Computational Analysis in Rational Drug Discovery: Using Biomolecular Solvation to Predict Thermodynamic, Kinetic and Structural Properties of Protein-Ligand Complexes
Most biomolecular interactions occur in aqueous environment. Therefore, one must consider the interactions between proteins and water molecules when developing a drug molecule against a target protein. The study of these interactions is challenging using experimental techniques alone, therefore comp...
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| Format: | Dissertation |
| Langue: | anglais |
| Publié: |
Philipps-Universität Marburg
2019
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| Accès en ligne: | Texte intégral en PDF |
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