| Predicate |
Object |
| assignee |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_fcec774586a18ad1fcf3c8a6b506de47 |
| classificationCPCAdditional |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-50
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16B15-00 |
| classificationCPCInventive |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-64
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16B35-00
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16C20-60
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/G06F19-16
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G01N33-566
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F17-30
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G01N33-48
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16C20-64 |
| filingDate |
2005-02-24-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_23850b95ff45056708d0c6f65dabad5c
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_42e9071927aa98c556067e328a23ce13
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_57bdd956e606a88afd4406ce6d7200a6 |
| publicationDate |
2007-07-19-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber |
US-2007166760-A1 |
| titleOfInvention |
Ligand searching device, ligand searching method, program, and recording medium |
| abstract |
The present invention is directed to serve ligand screening apparatuses, ligand screening methods, programs and recording medium for studying the binding analysis between a receptor including an induced-fit type receptor and a ligand. First, analysis and calculation of normal mode are conducted, and then fluctuation of dihedral angle of main chain in a steady state is calculated. Then by carrying out molecular dynamic calculation while imposing constraint on each atom based on the fluctuation, dynamic structure of the receptor is predicted more accurately. By using the dynamic structure obtained in the molecular dynamic calculation and an interaction function, receptor/ligand binding which is also applicable to an induced-fit type receptor is predicted with high accuracy. |
| isCitedBy |
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-11501849-B2 |
| priorityDate |
2004-02-24-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type |
http://data.epo.org/linked-data/def/patent/Publication |