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WO2001039098A3 - Systeme et procede de recherche dans un espace combinatoire - Google Patents

Systeme et procede de recherche dans un espace combinatoire Download PDF

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Publication number
WO2001039098A3
WO2001039098A3 PCT/IL2000/000779 IL0000779W WO0139098A3 WO 2001039098 A3 WO2001039098 A3 WO 2001039098A3 IL 0000779 W IL0000779 W IL 0000779W WO 0139098 A3 WO0139098 A3 WO 0139098A3
Authority
WO
WIPO (PCT)
Prior art keywords
combinations
searching
search
elements
combinatorial
Prior art date
Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
Ceased
Application number
PCT/IL2000/000779
Other languages
English (en)
Other versions
WO2001039098A2 (fr
WO2001039098A8 (fr
Inventor
Amiram Goldblum
Meir Glick
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
Yissum Research Development Co of Hebrew University of Jerusalem
Original Assignee
Yissum Research Development Co of Hebrew University of Jerusalem
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by Yissum Research Development Co of Hebrew University of Jerusalem filed Critical Yissum Research Development Co of Hebrew University of Jerusalem
Priority to CA002391987A priority Critical patent/CA2391987A1/fr
Priority to EP00977840A priority patent/EP1266337A2/fr
Priority to JP2001540691A priority patent/JP2003524831A/ja
Priority to AU15469/01A priority patent/AU780941B2/en
Priority to IL14961200A priority patent/IL149612A0/xx
Publication of WO2001039098A2 publication Critical patent/WO2001039098A2/fr
Anticipated expiration legal-status Critical
Publication of WO2001039098A3 publication Critical patent/WO2001039098A3/fr
Publication of WO2001039098A8 publication Critical patent/WO2001039098A8/fr
Ceased legal-status Critical Current

Links

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
    • G16C20/60—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
    • G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
    • G16B15/20—Protein or domain folding
    • 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
    • G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment

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  • Life Sciences & Earth Sciences (AREA)
  • Physics & Mathematics (AREA)
  • Health & Medical Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Chemical & Material Sciences (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Theoretical Computer Science (AREA)
  • General Health & Medical Sciences (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Biotechnology (AREA)
  • Evolutionary Biology (AREA)
  • Medical Informatics (AREA)
  • Biophysics (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Biochemistry (AREA)
  • Library & Information Science (AREA)
  • Molecular Biology (AREA)
  • Medicinal Chemistry (AREA)
  • Computing Systems (AREA)
  • Investigating Or Analysing Biological Materials (AREA)
  • Heterocyclic Carbon Compounds Containing A Hetero Ring Having Oxygen Or Sulfur (AREA)
  • Complex Calculations (AREA)

Abstract

L'invention concerne un système et un procédé de recherche dans un espace combinatoire, sans explosion combinatoire. La recherche est effectuée pour diverses combinaisons d'éléments de base, en fonction d'au moins une propriété voulue de combinaison, qui peut être traduite en une mesure quantitative du succès de la recherche. Comme le nombre de variables, et par conséquent le nombre de combinaisons, peut être très grand, on examine de préférence des échantillons de combinaisons. Les éléments de combinaisons qui permettent de maximiser et/ou de favoriser de manière cohérente la mesure quantitative sont ensuite gardés, et les autres éléments sont abandonnés. Le procédé est ensuite répété jusqu'à ce qu'un nombre minimum de combinaisons soit trouvé, celles-ci pouvant être éventuellement évaluées par la suite en fonction d'un paramètre similaire et/ou d'un autre paramètre ou d'une autre caractéristique.
PCT/IL2000/000779 1999-06-06 2000-11-22 Systeme et procede de recherche dans un espace combinatoire Ceased WO2001039098A2 (fr)

Priority Applications (5)

Application Number Priority Date Filing Date Title
CA002391987A CA2391987A1 (fr) 1999-11-22 2000-11-22 Systeme et procede de recherche dans un espace combinatoire
EP00977840A EP1266337A2 (fr) 1999-11-22 2000-11-22 Systeme et procede de recherche dans un espace combinatoire
JP2001540691A JP2003524831A (ja) 1999-11-22 2000-11-22 組み合わせ空間を探索するためのシステムおよび方法
AU15469/01A AU780941B2 (en) 1999-11-22 2000-11-22 System and method for searching a combinatorial space
IL14961200A IL149612A0 (en) 1999-06-06 2000-11-22 System and method for searching a combinatorial space

Applications Claiming Priority (4)

Application Number Priority Date Filing Date Title
US16674499P 1999-11-22 1999-11-22
US60/166,744 1999-11-22
US20980600P 2000-06-07 2000-06-07
US60/209,806 2000-06-07

Publications (3)

Publication Number Publication Date
WO2001039098A2 WO2001039098A2 (fr) 2001-05-31
WO2001039098A3 true WO2001039098A3 (fr) 2002-09-12
WO2001039098A8 WO2001039098A8 (fr) 2004-04-29

Family

ID=26862535

Family Applications (1)

Application Number Title Priority Date Filing Date
PCT/IL2000/000779 Ceased WO2001039098A2 (fr) 1999-06-06 2000-11-22 Systeme et procede de recherche dans un espace combinatoire

Country Status (5)

Country Link
EP (1) EP1266337A2 (fr)
JP (1) JP2003524831A (fr)
AU (1) AU780941B2 (fr)
CA (1) CA2391987A1 (fr)
WO (1) WO2001039098A2 (fr)

Cited By (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US7451917B2 (en) 2002-01-11 2008-11-18 Hand Held Products, Inc. Transaction terminal comprising imaging module

Families Citing this family (13)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US7315786B2 (en) 1998-10-16 2008-01-01 Xencor Protein design automation for protein libraries
US20020048772A1 (en) 2000-02-10 2002-04-25 Dahiyat Bassil I. Protein design automation for protein libraries
EP1510959A3 (fr) * 2001-08-10 2006-07-26 Xencor, Inc. Automatisation de la conception des protéines pour l'élaboration de bibliothèques de protéines
AU2003252355A1 (en) * 2002-08-01 2004-02-23 Mochida Pharmaceutical Co., Ltd. Novel crystalline tryptase and utilization thereof
TWI413020B (zh) * 2008-12-31 2013-10-21 Ind Tech Res Inst 全域極小值的搜尋方法及系統
JP5691575B2 (ja) 2011-02-03 2015-04-01 富士通株式会社 故障解析プログラム，故障解析装置および故障解析方法
ES2701440T3 (es) * 2012-08-17 2019-02-22 Zymeworks Inc Sistemas y métodos de muestreo y análisis de dinámica conformacional de polímeros
EP2951754B1 (fr) * 2013-01-31 2024-03-20 Codexis, Inc. Procédés, systèmes et logiciels pour identifier des biomolécules comprenant des composants d'interaction
JP7547799B2 (ja) * 2020-06-05 2024-09-10 富士通株式会社 構造探索方法、構造探索装置、構造探索用プログラム、及び相互作用ポテンシャル特定方法
CN112649802B (zh) * 2020-12-01 2022-03-22 中国人民解放军海军航空大学 高分辨传感器弱小多目标检测前跟踪方法
JP2022103481A (ja) 2020-12-28 2022-07-08 富士通株式会社 環状ペプチドの安定構造探索方法、環状ペプチドの安定構造探索プログラム、及び環状ペプチドの安定構造探索装置
JP2023047726A (ja) * 2021-09-27 2023-04-06 富士通株式会社 初期構造生成装置、初期構造生成方法及び初期構造生成プログラム
WO2025059720A1 (fr) * 2023-09-21 2025-03-27 Burzin Bhavnagri Système et procédé de création de composés de plomb et compositions associées

Citations (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO1998047089A1 (fr) * 1997-04-11 1998-10-22 California Institute Of Technology Dispositif et methode permettant une mise au point informatisee de proteines

Patent Citations (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO1998047089A1 (fr) * 1997-04-11 1998-10-22 California Institute Of Technology Dispositif et methode permettant une mise au point informatisee de proteines

Non-Patent Citations (4)

* Cited by examiner, † Cited by third party
Title
CORNO F ET AL: "A New Evolutionary Algorithm Inspired by the Selfish Gene Theory", IEEE INTERNATIONAL CONFERENCE ON EVOLUTIONARY COMPUTATION - ICEC'98, 1998, pages 575 - 580, XP002199150, Retrieved from the Internet <URL:http://citeseer.nj.nec.com/corno98new.html> [retrieved on 20020508] *
GORDON D B ET AL: "BRANCH-AND-TERMINATE: A COMBINATORIAL OPTIMIZATION ALGORITHM FOR PROTEIN DESIGN", STRUCTURE, CURRENT BIOLOGY LTD., PHILADELPHIA, PA, US, vol. 7, no. 9, 1999, pages 1089 - 1097, XP001028197, ISSN: 0969-2126 *
LEACH AR AND LEMON AP: "Exploring the Conformational Space of Protein Side Chains Using Dead-End Elimination and the A* Algorithm", PROTEINS: STRUCTURE, FUNCTION, AND GENETICS, vol. 33, no. 2, 1 November 1998 (1998-11-01), pages 227 - 239, XP002199152 *
LIWO A ET AL: "Protein structure prediction by global optimization of a potential energy function", PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES, vol. 96, May 1999 (1999-05-01), pages 5482 - 5485, XP002199151, Retrieved from the Internet <URL:http://www.pnas.org/cgi/reprint/96/10/5482.pdf> [retrieved on 20020508] *

Cited By (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US7451917B2 (en) 2002-01-11 2008-11-18 Hand Held Products, Inc. Transaction terminal comprising imaging module

Also Published As

Publication number Publication date
AU780941B2 (en) 2005-04-28
CA2391987A1 (fr) 2001-05-31
WO2001039098A2 (fr) 2001-05-31
WO2001039098A8 (fr) 2004-04-29
AU1546901A (en) 2001-06-04
JP2003524831A (ja) 2003-08-19
EP1266337A2 (fr) 2002-12-18

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