WO2000060507A3 - Analyse de la diversite moleculaire et proteique - Google Patents
Analyse de la diversite moleculaire et proteique Download PDFInfo
- Publication number
- WO2000060507A3 WO2000060507A3 PCT/US2000/008777 US0008777W WO0060507A3 WO 2000060507 A3 WO2000060507 A3 WO 2000060507A3 US 0008777 W US0008777 W US 0008777W WO 0060507 A3 WO0060507 A3 WO 0060507A3
- Authority
- WO
- WIPO (PCT)
- Prior art keywords
- target surfaces
- protein diversity
- fully enumerated
- objects
- diversity
- Prior art date
Links
- 102000004169 proteins and genes Human genes 0.000 title 1
- 108090000623 proteins and genes Proteins 0.000 title 1
Classifications
-
- 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
- G16C20/50—Molecular design, e.g. of drugs
-
- 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 or three-dimensional 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
- 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
- G16C20/40—Searching chemical structures or physicochemical data
Landscapes
- Life Sciences & Earth Sciences (AREA)
- Spectroscopy & Molecular Physics (AREA)
- Physics & Mathematics (AREA)
- Chemical & Material Sciences (AREA)
- Engineering & Computer Science (AREA)
- Bioinformatics & Cheminformatics (AREA)
- General Health & Medical Sciences (AREA)
- Theoretical Computer Science (AREA)
- Crystallography & Structural Chemistry (AREA)
- Health & Medical Sciences (AREA)
- Bioinformatics & Computational Biology (AREA)
- Biotechnology (AREA)
- Evolutionary Biology (AREA)
- Medical Informatics (AREA)
- Biophysics (AREA)
- Medicinal Chemistry (AREA)
- Pharmacology & Pharmacy (AREA)
- Computing Systems (AREA)
- Investigating Or Analysing Biological Materials (AREA)
- Peptides Or Proteins (AREA)
Abstract
Priority Applications (4)
Application Number | Priority Date | Filing Date | Title |
---|---|---|---|
EP00925889A EP1203330A2 (fr) | 1999-04-02 | 2000-03-31 | Analyse de la diversite moleculaire et proteique |
AU44511/00A AU4451100A (en) | 1999-04-02 | 2000-03-31 | Analyzing molecule and protein diversity |
CA002369570A CA2369570A1 (fr) | 1999-04-02 | 2000-03-31 | Analyse de la diversite moleculaire et proteique |
JP2000609930A JP2002541560A (ja) | 1999-04-02 | 2000-03-31 | 分子および蛋白質多様性の分析 |
Applications Claiming Priority (2)
Application Number | Priority Date | Filing Date | Title |
---|---|---|---|
US12748699P | 1999-04-02 | 1999-04-02 | |
US60/127,486 | 1999-04-02 |
Publications (2)
Publication Number | Publication Date |
---|---|
WO2000060507A2 WO2000060507A2 (fr) | 2000-10-12 |
WO2000060507A3 true WO2000060507A3 (fr) | 2001-04-12 |
Family
ID=22430392
Family Applications (1)
Application Number | Title | Priority Date | Filing Date |
---|---|---|---|
PCT/US2000/008777 WO2000060507A2 (fr) | 1999-04-02 | 2000-03-31 | Analyse de la diversite moleculaire et proteique |
Country Status (5)
Country | Link |
---|---|
EP (1) | EP1203330A2 (fr) |
JP (1) | JP2002541560A (fr) |
AU (1) | AU4451100A (fr) |
CA (1) | CA2369570A1 (fr) |
WO (1) | WO2000060507A2 (fr) |
Families Citing this family (5)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
EP1307536A2 (fr) * | 2000-06-16 | 2003-05-07 | Neogenesis Pharmaceuticals, Inc. | Systeme et procede d'evaluation des concavites dans une proteine |
WO2004010136A1 (fr) * | 2002-07-24 | 2004-01-29 | Keddem Bio-Science Ltd. | Procede de decouverte d'un medicament |
CN110010199B (zh) * | 2019-03-27 | 2021-01-01 | 华中师范大学 | 一种分析识别蛋白质特异性药物结合口袋的方法 |
CN110390997B (zh) * | 2019-07-17 | 2023-05-30 | 成都火石创造科技有限公司 | 一种化学分子式拼接方法 |
CN113421610B (zh) * | 2021-07-01 | 2023-10-20 | 北京望石智慧科技有限公司 | 一种分子叠合构象确定方法、装置以及存储介质 |
-
2000
- 2000-03-31 CA CA002369570A patent/CA2369570A1/fr not_active Abandoned
- 2000-03-31 EP EP00925889A patent/EP1203330A2/fr not_active Withdrawn
- 2000-03-31 JP JP2000609930A patent/JP2002541560A/ja active Pending
- 2000-03-31 WO PCT/US2000/008777 patent/WO2000060507A2/fr not_active Application Discontinuation
- 2000-03-31 AU AU44511/00A patent/AU4451100A/en not_active Abandoned
Non-Patent Citations (4)
Title |
---|
BURKHARD P ET AL: "An example of a protein ligand found by database mining: Description of the docking method and its verification by a 2.3 A X-ray structure of a thrombin-ligand complex.", JOURNAL OF MOLECULAR BIOLOGY, vol. 277, no. 2, 27 March 1998 (1998-03-27), pages 449 - 466, XP000974379, ISSN: 0022-2836 * |
JIANG F ET AL: "SOFT DOCKING MATCHING OF MOLECULAR SURFACE CUBES", JOURNAL OF MOLECULAR BIOLOGY, vol. 219, no. 1, 1991, pages 79 - 102, XP000972336, ISSN: 0022-2836 * |
JOHN MOUNT ET AL: "Icepick: A flexible surface-based system for molecular diversity", JOURNAL OF MEDICINAL CHEMISTRY, vol. 42, no. 1, 1999, pages 60 - 66, XP002156348, Retrieved from the Internet <URL:http://pubs3.acs.org/s97is.vts> [retrieved on 20001228] * |
PARKS CAMDEN A ET AL: "The measurement of molecular diversity by receptor site interaction simulation.", JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, vol. 12, no. 5, 1998, pages 441 - 449, XP000972384, ISSN: 0920-654X * |
Also Published As
Publication number | Publication date |
---|---|
AU4451100A (en) | 2000-10-23 |
EP1203330A2 (fr) | 2002-05-08 |
WO2000060507A2 (fr) | 2000-10-12 |
CA2369570A1 (fr) | 2000-10-12 |
JP2002541560A (ja) | 2002-12-03 |
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