-
Hi Luwei!
I am running the test example, apparently without errors. But this single protein is taking too long (over one hour). Also, while I am using a dedicated GPU (RTX-4090), its utilization is…
-
Hi,
I have already executed simulations for my membrane protein complexes, I have over 30 complexes. I have executed relative binding affinities and now want to execute absolute binding free energy c…
-
The main focus of cryo2struct is on the protein's map2pdb task. Then, the Cryo2StructData dataset is a dataset for complexes, which contains a large amount of information on small molecules and nuclei…
-
Greetings, dear colleagues,
I am a 5th-year student at Lomonosov Moscow State University.
I have **one question about OnionNet**: is it possible to use this neural network to predict "protein-pep…
-
Thanks for such a great tool, I am just curious to know that will we be able to predict Protein- DNA complexes with combfold.
-
Some possible gene sets:
- [ ] disease genetic associations (human only)
- [ ] drug binding (human only)
- [ ] tissue expression (data mostly from Bgee, human and mouse)
- [ ] genetic locus (P4…
-
Hello,
Amazing work! How can I include protein-nucleic-acid complexes during inference?
-
- [ ] If the complex is composed of all the same proteins (homomultimers), then use the main uniprot id for the GPAD output (e.g. enabled by). Ignore non-protein entities that are parts of complexes.…
-
I followed the instruction of using run_docking_inference.py, supplied pdb file from Posebuster dataset, sdf file of ligand from Posebuster dataset, and txt file of smiles converted from ligand. I tes…
-
In 1.5 we had all mappings of Chembl targets to Chembl target components (and then to uniprot) in the default lens, regardless if it is a single protein or a complex or a family. With the IMS reload, …