Molecular simulation of protein-ligand complexes

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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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Bibliographic Details
Main Author:	Guest, Ellen
Format:	Thesis (University of Nottingham only)
Language:	English
Published:	2022
Subjects:	Protein-ligand complexes Molecular simulation
Online Access:	https://eprints.nottingham.ac.uk/68947/

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