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Hello,
I am concerned about utilizing Vina 1.2.5 in drug combinations after it enables simultaneous docking of multiple ligands. Now the problem encountered is:
-Ligand A can be docked to α-glucosid…
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Hello everyone, I'm currently using Vina for docking multiple ligands and have a question about the output. Does the binding free energy reported by Vina take into account the interaction energy betwe…
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This software is very impressive!
Is it possible to add a feature for direct upload of PDB files or ligand sdf/mol2 files for protein-ligand binding prediction or protein-proterin binding prediction…
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Traceback (most recent call last):
File "/home/yanbosmu/桌面/your_path/mypolygon/bin/polygon", line 8, in
sys.exit(main())
File "/home/yanbosmu/桌面/your_path/mypolygon/lib/python3.9/site-pack…
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Thanks for you opening our source code and the fantastic works.
I have a few questions I’d like to ask.
Firstly, the protein-ligand complexes in MISATO likely come primarily from the PDBbind dat…
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Thanks for you opening our source code and the fantastic works.
I have a few questions I’d like to ask.
Firstly, the protein-ligand complexes in MISATO likely come primarily from the PDBbind dat…
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When I used boltz-1 to predict the structure of a protein-ligand complex, the protein structure is fine, but the ligand pose is very distorted and rather remote from the pose in a reference x-ray crys…
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The first process of train VAE was successful.
But an error occurred when train_ligand_binging_model.
polygon train_ligand_binding_model --uniprot_id Q9Y572O --binding_db_path /home/yanbosmu/Bioin…
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**Appreciate your outstanding work!**
I'm trying to dock a ligand composed of multiple monomers with my target protein. I set **Molecule Type** to '**ligand**' and **Copies** to 10, but the result …
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Hi,
I tried your pipeline several times but I never get to the end because no files are left.
I first tried the notebook as is, but then I had to change filter values such as SASA_limit when anayl…