Protein
IQ
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Protein
IQ
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GeoDock
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Receptor (first protein partner)
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PDB, ENT, CIF, MMCIF · up to 50 MB
Ligand (second protein partner)
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PDB, ENT, CIF, MMCIF · up to 50 MB
Refinement
Refinement method
OpenMM
Refinement options
Restraint stiffness (kcal/mol/Ų)
Force tolerance (kcal/mol/nm)
Batch pairing
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