http://rdf.ncbi.nlm.nih.gov/pubchem/patent/JP-2022161733-A
Outgoing Links
| Predicate | Object |
|---|---|
| assignee | http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_ceb2504c8d821ee1e5dd0861abee6d7d |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16B15-30 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/A61K31-517 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/A61K31-506 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/A61P35-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06Q10-04 |
| filingDate | 2021-04-09-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor | http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_28d7183f2b6678a16e39fbc92537ec42 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_287139383581d33f5b917918fbb86d02 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_dfe19da229031c92336252be5aa80b7f |
| publicationDate | 2022-10-21-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | JP-2022161733-A |
| titleOfInvention | A therapeutic drug discovery method for mutant proteins by long-term molecular dynamics simulation |
| abstract | [Problem] Mutant proteins with low-frequency cancerous mutations and mutations that induce resistance to molecular-targeted drugs and whose higher-order structure is not clear are mutated based on the wild-type three-dimensional structure and mutation information. A method for predicting the three-dimensional structure of the body and searching for effective compounds and a pharmaceutical composition for use in cancer treatment are provided. The method predicts the initial structure of a protein-compound complex from a protein whose structure is known, and predicts the binding affinity of the protein-compound complex, including mutants, by long-term molecular dynamics simulation. [Selection figure] None |
| priorityDate | 2021-04-09-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
Total number of triples: 69.