Persistent URL of this record https://hdl.handle.net/1887/3729811
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- Title pages_Contents
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- Chapter 2
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- Summary in English
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- Summary in Dutch
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Evolutionary molecular dynamics
The thesis describes the development of EVO-MD, a Python-based implementation of the physics-based inverse design concept. EVO-MD is capable of automatically setting-up, performing, and analyzing molecular dynamics simulations, allowing for the evolutionary optimization of complex and dynamic features in peptides. Examples of such applications include the optimization of lipid composition and curvature sensors, and the development of peptides with antiviral properties.
- All authors
- Methorst, J.
- Supervisor
- Kros, A.; Risselada, H.J.
- Committee
- Ubbink, M.; Dame, R.T.; Westen, G.J.P. van; Marrink, S.J.; Sengupta, D.
- Qualification
- Doctor (dr.)
- Awarding Institution
- Leiden Institute of Chemistry (LIC) , Faculty of Science , Leiden University
- Date
- 2024-04-02