http://rdf.ncbi.nlm.nih.gov/pubchem/patent/KR-102174746-B1
Outgoing Links
| Predicate | Object |
|---|---|
| classificationCPCAdditional | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G01N2333-726 |
| classificationCPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16B45-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G01N33-68 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16B99-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16B15-30 |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G01N33-68 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16B5-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16B45-00 |
| filingDate | 2017-09-14-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| grantDate | 2020-11-05-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationDate | 2020-11-05-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | KR-102174746-B1 |
| titleOfInvention | Protein-ligand docking prediction method using quantum mechanics calculation and solvation effect |
| abstract | The present invention relates to a method for predicting a protein-ligand docking structure using quantum mechanics calculation and solvation effect, and more particularly, exist in the quantum mechanics domain derived through quantum mechanics calculation under an implicit solvent model environment. A docking protocol based on quantum mechanics/molecular mechanics calculations using atomic charges. According to the present invention, more accurate modeling is possible than in the case of the conventional docking method by using the atomic charge in the quantum mechanics domain derived in consideration of the solvation effect when calculating quantum mechanics. |
| priorityDate | 2017-09-14-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
Total number of triples: 211.