[gmx-users] Complementing the missing resideus of the protein

[Chenlin Lu]

Hello all,


I am working on a protein engineering project. A protein mutant (some ) was obtained and X-ray crystallography was applied to deterine the crystal structure. Unfortunately, there are some residues with high overlap electrodensity, which means the structure of these residues could not be determined. So, my plan is to use MD to analyis the relation of flexibility and Amino acis squences for mutant part for further experiment. As a reslut, I am wondering if there is some way to complement (or initial generate the configuration) the missing part of the protein in order to do MD simulation. Could anyone help me? Thx in advance.


Best,
Chenlin

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Chenlin Lu

Department of Chemical Engineering, 

Tsinghua University, Beijing, 100084

Tel: 86-13120180517

Email: lucl17 at mails.tsinghua.edu.cn