| Predicate |
Object |
| assignee |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_790f7b7f541c27eed5e34fb782609b1d |
| classificationCPCAdditional |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/C07K2317-92
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/C07K2317-24
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/C07K2317-56
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/C07K2317-565 |
| classificationCPCInventive |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/C07K16-2887
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/C07K16-32
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G01N33-6803
http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/C07K16-2818 |
| classificationIPCInventive |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F17-50
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G01N33-68
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/C07K16-00
http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/C07K14-00 |
| filingDate |
2009-09-25-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor |
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_e1e75dd7122e0e8ff3810895605c5fc7
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_bcbe1ede5c86661e5a4a88ea4d8f3d08
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_d192381c36690609cf0dd3f7b8609e4a
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_84f5e041c7f2594a2022eadcb504e911
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_202f46fed8a61b21963313b37d5d926c |
| publicationDate |
2012-08-01-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber |
EP-2482212-A1 |
| titleOfInvention |
Method of acquiring proteins with high affinity by computer aided design |
| abstract |
The present invention provides a method of acquiring proteins with high affinity by computer-aided design, which comprises the steps of: 1) based on a known cocrystal structure of a complex of a protein and a target molecule, determining candidate mutation sites of the protein; 2) simulating amino acid mutations in candidate sites of the protein in turn by computer so as to acquire optimized structures; 3) searching out conformations of the optimized structures acquired in step 2) by computer; 4) analyzing the total energies and root mean square deviations of the conformations acquired in step 3), and then selecting conformations with minimized energy and less root mean square deviations to analyze binding energies binding to the target molecule and to acquire simulative structures; and 5) based on the simulative structures acquired in step 4), predicting and validating mutated proteins with high affinity. |
| isCitedBy |
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-10377825-B2
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-11530275-B2
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-11186650-B2
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-2016205531-A3
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-10865251-B2
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-113168887-A
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-11466094-B2
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-11007267-B2
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-11787873-B2
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-10584178-B2
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-11732054-B2
http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-10640572-B2 |
| priorityDate |
2009-09-25-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type |
http://data.epo.org/linked-data/def/patent/Publication |