http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-103049677-B
Outgoing Links
| Predicate | Object |
|---|---|
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F19-12 |
| filingDate | 2011-10-17-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| grantDate | 2015-11-25-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationDate | 2015-11-25-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | CN-103049677-B |
| titleOfInvention | A kind of computing method processing Small molecular and protein interaction |
| abstract | The present invention relates to a kind of computing method processing Small molecular and protein interaction, comprise the following steps: (1) reads in protein and smaller ligand file data; (2) atomic type in protein and smaller ligand is judged; (3) position of random initializtion smaller ligand and angle; (4) run SearchProtein algorithm, optimize coordinate and the angle of smaller ligand, Chemscore formula is as evaluation function; (5) stop calculating after reaching maximum iteration time; (6) analysis result, the coordinate in RMSD, docking free energy Δ G and docking site, Output rusults.Compared with prior art, the present invention has and accomplishes have effect to make the advantages such as rapidly judgement to time between pollutant and biomacromolecule. |
| priorityDate | 2011-10-17-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
Total number of triples: 42.