Ai Liqiang

Predicting the structure of proteins, including those containing thioester bonds, is a complex task that often involves a combination of experimental and computational methods. Some approaches can be considered as below,

Experimental Methods

1 X-ray Crystallography

2 Nuclear Magnetic Resonance (NMR) Spectroscopy

3 Cryo-Electron Microscopy (Cryo-EM)

Computational Methods

1 Homology Modeling

2 Ab Initio Modeling

3 Molecular Dynamics Simulations

4 Threading Approaches

5 Thioester-Specific Modeling