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DE60031147D1 - Verfahren zum generieren von informationen in zusammenhang mit der molekularstruktur eines biomoleküls - Google Patents

Verfahren zum generieren von informationen in zusammenhang mit der molekularstruktur eines biomoleküls

Info

Publication number
DE60031147D1
DE60031147D1 DE60031147T DE60031147T DE60031147D1 DE 60031147 D1 DE60031147 D1 DE 60031147D1 DE 60031147 T DE60031147 T DE 60031147T DE 60031147 T DE60031147 T DE 60031147T DE 60031147 D1 DE60031147 D1 DE 60031147D1
Authority
DE
Germany
Prior art keywords
biomolecule
information related
molecular structure
generating information
generating
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.)
Expired - Lifetime
Application number
DE60031147T
Other languages
English (en)
Other versions
DE60031147T2 (de
Inventor
Johan Desmet
Ignace Lasters
Dominique Vlieghe
Carlo Boutton
Philippe Stas
Jan Spriet
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.)
Algonomics NV
Original Assignee
Algonomics NV
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 Algonomics NV filed Critical Algonomics NV
Application granted granted Critical
Publication of DE60031147D1 publication Critical patent/DE60031147D1/de
Publication of DE60031147T2 publication Critical patent/DE60031147T2/de
Anticipated expiration legal-status Critical
Expired - Lifetime legal-status Critical Current

Links

Classifications

    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07K—PEPTIDES
    • C07K1/00—General methods for the preparation of peptides, i.e. processes for the organic chemical preparation of peptides or proteins of any length
    • 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
    • G16C20/30—Prediction of properties of chemical compounds, compositions or mixtures
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/0068—Means for controlling the apparatus of the process
    • B01J2219/00686—Automatic
    • B01J2219/00689—Automatic using computers
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/0068—Means for controlling the apparatus of the process
    • B01J2219/00695—Synthesis control routines, e.g. using computer programs
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/0068—Means for controlling the apparatus of the process
    • B01J2219/007—Simulation or vitual synthesis
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/00718—Type of compounds synthesised
    • B01J2219/0072—Organic compounds
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/00718—Type of compounds synthesised
    • B01J2219/0072—Organic compounds
    • B01J2219/00722—Nucleotides
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/00718—Type of compounds synthesised
    • B01J2219/0072—Organic compounds
    • B01J2219/00725—Peptides
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/00718—Type of compounds synthesised
    • B01J2219/0072—Organic compounds
    • B01J2219/00731—Saccharides
    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07K—PEPTIDES
    • C07K2299/00—Coordinates from 3D structures of peptides, e.g. proteins or enzymes
    • C—CHEMISTRY; METALLURGY
    • C40—COMBINATORIAL TECHNOLOGY
    • C40B—COMBINATORIAL CHEMISTRY; LIBRARIES, e.g. CHEMICAL LIBRARIES
    • C40B40/00—Libraries per se, e.g. arrays, mixtures
    • C40B40/04—Libraries containing only organic compounds
    • C40B40/06—Libraries containing nucleotides or polynucleotides, or derivatives thereof
    • C—CHEMISTRY; METALLURGY
    • C40—COMBINATORIAL TECHNOLOGY
    • C40B—COMBINATORIAL CHEMISTRY; LIBRARIES, e.g. CHEMICAL LIBRARIES
    • C40B40/00—Libraries per se, e.g. arrays, mixtures
    • C40B40/04—Libraries containing only organic compounds
    • C40B40/10—Libraries containing peptides or polypeptides, or derivatives thereof
    • C—CHEMISTRY; METALLURGY
    • C40—COMBINATORIAL TECHNOLOGY
    • C40B—COMBINATORIAL CHEMISTRY; LIBRARIES, e.g. CHEMICAL LIBRARIES
    • C40B40/00—Libraries per se, e.g. arrays, mixtures
    • C40B40/04—Libraries containing only organic compounds
    • C40B40/12—Libraries containing saccharides or polysaccharides, or derivatives thereof

Landscapes

  • Chemical & Material Sciences (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • General Health & Medical Sciences (AREA)
  • Biophysics (AREA)
  • Organic Chemistry (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Health & Medical Sciences (AREA)
  • Physics & Mathematics (AREA)
  • Theoretical Computer Science (AREA)
  • Engineering & Computer Science (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Biochemistry (AREA)
  • Molecular Biology (AREA)
  • Biotechnology (AREA)
  • Analytical Chemistry (AREA)
  • Evolutionary Biology (AREA)
  • Genetics & Genomics (AREA)
  • Medicinal Chemistry (AREA)
  • Medical Informatics (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • Computing Systems (AREA)
  • Investigating Or Analysing Biological Materials (AREA)
  • Management, Administration, Business Operations System, And Electronic Commerce (AREA)
  • Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
  • Peptides Or Proteins (AREA)
  • Measuring And Recording Apparatus For Diagnosis (AREA)
DE60031147T 1999-11-03 2000-11-03 Verfahren zum generieren von informationen in zusammenhang mit der molekularstruktur eines biomoleküls Expired - Lifetime DE60031147T2 (de)

Applications Claiming Priority (5)

Application Number Priority Date Filing Date Title
US16340899P 1999-11-03 1999-11-03
US163408P 1999-11-03
EP0009460 2000-09-25
WOPCT/EP00/09460 2000-09-25
PCT/EP2000/010921 WO2001033438A2 (en) 1999-11-03 2000-11-03 Method for generating information related to the molecular structure of a biomolecule

Publications (2)

Publication Number Publication Date
DE60031147D1 true DE60031147D1 (de) 2006-11-16
DE60031147T2 DE60031147T2 (de) 2007-08-23

Family

ID=22589903

Family Applications (1)

Application Number Title Priority Date Filing Date
DE60031147T Expired - Lifetime DE60031147T2 (de) 1999-11-03 2000-11-03 Verfahren zum generieren von informationen in zusammenhang mit der molekularstruktur eines biomoleküls

Country Status (6)

Country Link
US (1) US8571806B2 (de)
EP (1) EP1226528B1 (de)
AT (1) ATE341793T1 (de)
AU (1) AU1278801A (de)
DE (1) DE60031147T2 (de)
WO (1) WO2001033438A2 (de)

Families Citing this family (10)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
EP1226528B1 (de) 1999-11-03 2006-10-04 Algonomics N.V. Verfahren zum generieren von informationen in zusammenhang mit der molekularstruktur eines biomoleküls
US8229721B1 (en) 1999-11-03 2012-07-24 Lonza Biologics Plc Apparatus and method for structure-based prediction of amino acid sequences
WO2008096424A1 (ja) * 2007-02-07 2008-08-14 Fujitsu Limited 分子設計方法、プログラム及び記憶媒体
NL2001101C2 (nl) * 2007-12-19 2009-06-22 Univ Delft Tech Werkwijze voor het vormen van informatie over een driedimensionale moleculaire structuur van een molecuul.
EP2795501A2 (de) * 2011-12-21 2014-10-29 Life Technologies Corporation Verfahren und systeme für experimentelles in-silico-designing und zur ausführung eines biologischen workflows
US9122523B2 (en) * 2012-05-03 2015-09-01 Nec Laboratories America, Inc. Automatic pipelining framework for heterogeneous parallel computing systems
JP6840668B2 (ja) * 2014-11-14 2021-03-10 ディ.イー.ショー リサーチ, エルエルシーD.E.Shaw Research, Llc 結合された粒子間の相互作用の抑制
KR101599186B1 (ko) * 2015-03-06 2016-03-03 한양대학교 산학협력단 단백질의 분자 구조의 결정 방법 및 장치
JP7019805B2 (ja) * 2018-05-29 2022-02-15 富士フイルム株式会社 分子安定構造の探索方法、分子安定構造の探索プログラム、記録媒体及び分子安定構造の探索装置
JP7112312B2 (ja) * 2018-10-26 2022-08-03 富士通株式会社 化合物探索装置、化合物探索方法、及び化合物探索プログラム

Family Cites Families (6)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US4939666A (en) * 1987-09-02 1990-07-03 Genex Corporation Incremental macromolecule construction methods
US6230102B1 (en) * 1997-04-04 2001-05-08 Massachusetts Institute Of Technology Computer system and process for identifying a charge distribution which minimizes electrostatic contribution to binding at binding between a ligand and a molecule in a solvent and uses thereof
EP0974111B1 (de) * 1997-04-11 2003-01-08 California Institute Of Technology Gerät und verfahren für automatischen protein-entwurf
US6490532B1 (en) * 1999-01-25 2002-12-03 Mount Sinai Hospital Method to construct protein structures
EP1226528B1 (de) 1999-11-03 2006-10-04 Algonomics N.V. Verfahren zum generieren von informationen in zusammenhang mit der molekularstruktur eines biomoleküls
US8229721B1 (en) * 1999-11-03 2012-07-24 Lonza Biologics Plc Apparatus and method for structure-based prediction of amino acid sequences

Also Published As

Publication number Publication date
EP1226528B1 (de) 2006-10-04
WO2001033438A2 (en) 2001-05-10
WO2001033438A3 (en) 2002-03-28
AU1278801A (en) 2001-05-14
US8571806B2 (en) 2013-10-29
EP1226528A2 (de) 2002-07-31
DE60031147T2 (de) 2007-08-23
US20110137617A1 (en) 2011-06-09
ATE341793T1 (de) 2006-10-15

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