http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-6308145-B1
Outgoing Links
| Predicate | Object |
|---|---|
| assignee | http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_c873b45c172c346e8caf7e61959b8589 |
| classificationCPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16B15-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G16B15-30 |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16B15-30 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F17-30 |
| filingDate | 1996-12-06-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| grantDate | 2001-10-23-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor | http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_1b9d4c9770d1e0639e2bbf062cb08c56 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_745c109bbd0cbeb322431a69eff5a97b |
| publicationDate | 2001-10-23-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | US-6308145-B1 |
| titleOfInvention | Methods for searching stable docking models of biopolymer-ligand molecule complex |
| abstract | Methods for searching stable docking models of biopolymer-ligand molecule complex, which comprise the steps of: (1) searching possible hydrogen-bond schemes between a biopolymer and a ligand molecule by preparing possible combination sets of hydrogen-bonding heteroatoms in the ligand molecule with dummy atoms located at the positions of heteroatoms that can be hydrogen-bond partners to hydrogen-bonding functional groups in the biopolymer; (2) estimating the possible the hydrogen-bond schemes between the biopolymer and ligand molecule and the possible conformations of a hydrogen-bonding part of the ligand molecule at the same time by comparing the distances between the dummy atoms with the distances between the hydrogen-bonding heteroatoms; and (3) obtaining the possible docking models of the biopolymer-ligand molecule complex by changing the coordinates of all atoms of the ligand molecule into the coordinate system of the biopolymer, according to the correspondences between the hydrogen-bonding heteroatoms in the ligand molecule and the dummy atoms in combination sets for each of the hydrogen-bond schemes and conformations obtained in the second step are provided. According to the methods of the present invention, the structures of stable biopolymer-ligand molecule complex can be searched efficiently and precisely in a short time. |
| isCitedBy | http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-7286940-B2 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-2002155501-A1 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-2004034481-A1 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-03014308-A2 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-6671628-B2 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-2004015299-A1 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-2006100789-A1 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-2013251735-A1 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-7880738-B2 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-03014308-A3 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-2004019432-A1 http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-2006052943-A1 |
| priorityDate | 1992-03-27-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
Total number of triples: 39.