Alloscore specifications

Unique identifier:
OMICS_11089
Restrictions to use:
None
Input format:
PDB, MOL2
Computer skills:
Basic
Stability:
Stable
Interface:
Web user interface
Input data:
For each job, the user can specify allosteric complexes of interest by uploading a protein in a PDB file and multiple ligands in a Mol2 file.
Output data:
Alloscore provides the predicted energy terms, binding affinity and interactive 3D representation of each allosteric ligand-protein complex.
Version:
1.02
Maintained:
Yes

Alloscore support

Documentation

Maintainer

  • Jian Zhang <>

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Publications

Institution(s)

Department of Pathophysiology, Shanghai Jiao-Tong University School of Medicine, Shanghai, China; Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, China

Funding source(s)

This work was funded by National Natural Science Foundation of China (81322046, 81302698).

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