Molecular simulation of protein-ligand complexes
Computational methods provide important contributions to modern drug discovery projects. In this thesis, we discuss the insights into protein-ligand interactions afforded by methods such as molecular docking, molecular dynamics (MD) and alchemical free energy calculations, which expedite the process...
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| Format: | Thesis (University of Nottingham only) |
| Language: | English |
| Published: |
2022
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| Online Access: | https://eprints.nottingham.ac.uk/68947/ |