ATE358852T1 - VERFAHREN ZUR IDENTIFIZIERUNG VON BINDUNGSSTELLEN MIT EINEM ßMULTI-SCALE APPROACHß - Google Patents
VERFAHREN ZUR IDENTIFIZIERUNG VON BINDUNGSSTELLEN MIT EINEM ßMULTI-SCALE APPROACHßInfo
- Publication number
- ATE358852T1 ATE358852T1 AT03700921T AT03700921T ATE358852T1 AT E358852 T1 ATE358852 T1 AT E358852T1 AT 03700921 T AT03700921 T AT 03700921T AT 03700921 T AT03700921 T AT 03700921T AT E358852 T1 ATE358852 T1 AT E358852T1
- Authority
- AT
- Austria
- Prior art keywords
- binding sites
- identifying binding
- scale approach
- ligand
- identifying
- Prior art date
Links
Classifications
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
- G16B15/00—ICT specially adapted for analysing two-dimensional [2D] or three-dimensional [3D] molecular structures, e.g. structural or functional relations or structure alignment
- G16B15/30—Drug targeting using structural data; Docking or binding prediction
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
- G16B15/00—ICT specially adapted for analysing two-dimensional [2D] or three-dimensional [3D] molecular structures, e.g. structural or functional relations or structure alignment
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
- G16B20/00—ICT specially adapted for functional genomics or proteomics, e.g. genotype-phenotype associations
- G16B20/30—Detection of binding sites or motifs
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
- G16B35/00—ICT specially adapted for in silico combinatorial libraries of nucleic acids, proteins or peptides
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
- G16B35/00—ICT specially adapted for in silico combinatorial libraries of nucleic acids, proteins or peptides
- G16B35/20—Screening of libraries
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
- G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
- G16C20/60—In silico combinatorial chemistry
-
- G—PHYSICS
- G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
- G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
- G16B20/00—ICT specially adapted for functional genomics or proteomics, e.g. genotype-phenotype associations
Landscapes
- Engineering & Computer Science (AREA)
- Life Sciences & Earth Sciences (AREA)
- Physics & Mathematics (AREA)
- Health & Medical Sciences (AREA)
- Chemical & Material Sciences (AREA)
- Bioinformatics & Cheminformatics (AREA)
- Spectroscopy & Molecular Physics (AREA)
- General Health & Medical Sciences (AREA)
- Bioinformatics & Computational Biology (AREA)
- Theoretical Computer Science (AREA)
- Biotechnology (AREA)
- Evolutionary Biology (AREA)
- Medical Informatics (AREA)
- Biophysics (AREA)
- Crystallography & Structural Chemistry (AREA)
- Molecular Biology (AREA)
- Library & Information Science (AREA)
- Medicinal Chemistry (AREA)
- Biochemistry (AREA)
- Pharmacology & Pharmacy (AREA)
- Computing Systems (AREA)
- Analytical Chemistry (AREA)
- Genetics & Genomics (AREA)
- Proteomics, Peptides & Aminoacids (AREA)
- Investigating Or Analysing Biological Materials (AREA)
- Management, Administration, Business Operations System, And Electronic Commerce (AREA)
- Steroid Compounds (AREA)
- Packages (AREA)
- Medicines Containing Antibodies Or Antigens For Use As Internal Diagnostic Agents (AREA)
- Installation Of Indoor Wiring (AREA)
- Package Frames And Binding Bands (AREA)
- Radar Systems Or Details Thereof (AREA)
- Enzymes And Modification Thereof (AREA)
- Measuring Or Testing Involving Enzymes Or Micro-Organisms (AREA)
- Peptides Or Proteins (AREA)
Applications Claiming Priority (1)
| Application Number | Priority Date | Filing Date | Title |
|---|---|---|---|
| GBGB0201754.9A GB0201754D0 (en) | 2002-01-25 | 2002-01-25 | Method for binding site identification |
Publications (1)
| Publication Number | Publication Date |
|---|---|
| ATE358852T1 true ATE358852T1 (de) | 2007-04-15 |
Family
ID=9929762
Family Applications (1)
| Application Number | Title | Priority Date | Filing Date |
|---|---|---|---|
| AT03700921T ATE358852T1 (de) | 2002-01-25 | 2003-01-20 | VERFAHREN ZUR IDENTIFIZIERUNG VON BINDUNGSSTELLEN MIT EINEM ßMULTI-SCALE APPROACHß |
Country Status (8)
| Country | Link |
|---|---|
| US (1) | US20050114035A1 (de) |
| EP (1) | EP1468392B1 (de) |
| JP (1) | JP2005515575A (de) |
| AT (1) | ATE358852T1 (de) |
| AU (1) | AU2003202064A1 (de) |
| DE (1) | DE60312955D1 (de) |
| GB (1) | GB0201754D0 (de) |
| WO (1) | WO2003062468A2 (de) |
Families Citing this family (7)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| WO2005081158A2 (en) * | 2004-02-23 | 2005-09-01 | Novartis Ag | Use of feature point pharmacophores (fepops) |
| US20060188870A1 (en) * | 2005-02-24 | 2006-08-24 | Avi Ben-Shimon | Identification of active sites in enzymes |
| US20070016374A1 (en) * | 2005-07-14 | 2007-01-18 | Locus Pharmaceuticals, Inc. | Method, system, and computer program product for identifying binding conformations of chemical fragments and biological molecules |
| JP2007219789A (ja) * | 2006-02-16 | 2007-08-30 | Nec Corp | タンパク質と化合物間の相互作用計算装置および方法ならびにプログラム |
| US7739091B2 (en) * | 2006-03-23 | 2010-06-15 | The Research Foundation Of State University Of New York | Method for estimating protein-protein binding affinities |
| GB0718027D0 (en) * | 2007-09-14 | 2007-10-24 | Univ Manchester | Method for determining three-dimensional structures of dynamic molecules |
| CN120913656B (zh) * | 2025-10-09 | 2026-03-10 | 北京安百胜诊断科技有限公司 | 基于势能差最大化的抗原抗体相互作用势能矩阵优化方法 |
-
2002
- 2002-01-25 GB GBGB0201754.9A patent/GB0201754D0/en not_active Ceased
-
2003
- 2003-01-20 JP JP2003562335A patent/JP2005515575A/ja not_active Abandoned
- 2003-01-20 EP EP03700921A patent/EP1468392B1/de not_active Expired - Lifetime
- 2003-01-20 DE DE60312955T patent/DE60312955D1/de not_active Expired - Lifetime
- 2003-01-20 WO PCT/GB2003/000241 patent/WO2003062468A2/en not_active Ceased
- 2003-01-20 AU AU2003202064A patent/AU2003202064A1/en not_active Abandoned
- 2003-01-20 US US10/502,583 patent/US20050114035A1/en not_active Abandoned
- 2003-01-20 AT AT03700921T patent/ATE358852T1/de not_active IP Right Cessation
Also Published As
| Publication number | Publication date |
|---|---|
| GB0201754D0 (en) | 2002-03-13 |
| AU2003202064A1 (en) | 2003-09-02 |
| EP1468392A2 (de) | 2004-10-20 |
| WO2003062468A3 (en) | 2003-09-18 |
| DE60312955D1 (de) | 2007-05-16 |
| JP2005515575A (ja) | 2005-05-26 |
| WO2003062468A2 (en) | 2003-07-31 |
| EP1468392B1 (de) | 2007-04-04 |
| US20050114035A1 (en) | 2005-05-26 |
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Legal Events
| Date | Code | Title | Description |
|---|---|---|---|
| RER | Ceased as to paragraph 5 lit. 3 law introducing patent treaties |