Initial Structures of PKM1/M2 proteins for AMOEBA Molecular Dynamics studies (xyz Tinker format)
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https://zenodo.org/record/14008129
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资源简介：
Here are presented our initial structures of PKM1/M2 (solvated and neutralized) for the different states to initiate molecular dynamics in AMOEBA force field.
Those are represented in xyz Tinker format and come from their respectives PDB crystal structure after extraction of the unwanted ligands :
3SRF for PKM1,
1ZJH for monomer PKM2,
6B6U for dimer PKM2,
3SRH for free-tetramer PKM2,
3SRD for tetramer PKM2 bound to FBP,
3U2Z for tetramer PKM2 bound to TEPP-46.
创建时间：
2024-10-29
