ATE341793T1 - 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
ATE341793T1
ATE341793T1 AT00974510T AT00974510T ATE341793T1 AT E341793 T1 ATE341793 T1 AT E341793T1 AT 00974510 T AT00974510 T AT 00974510T AT 00974510 T AT00974510 T AT 00974510T AT E341793 T1 ATE341793 T1 AT E341793T1
Authority
AT
Austria
Prior art keywords
biomolecule
information related
molecular structure
generating information
generating
Prior art date
Application number
AT00974510T
Other languages
English (en)
Inventor
Johan Desmet
Ignace Lasters
Dominique Vlieghe
Carlo Boutton
Philippe Stas
Jan Spriet
Original Assignee
Algonomics N V
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 N V filed Critical Algonomics N V
Application granted granted Critical
Publication of ATE341793T1 publication Critical patent/ATE341793T1/de

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 [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
    • 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)
  • Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
  • Management, Administration, Business Operations System, And Electronic Commerce (AREA)
  • Peptides Or Proteins (AREA)
  • Measuring And Recording Apparatus For Diagnosis (AREA)
AT00974510T 1999-11-03 2000-11-03 Verfahren zum generieren von informationen in zusammenhang mit der molekularstruktur eines biomoleküls ATE341793T1 (de)

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
US16340899P 1999-11-03 1999-11-03
EP0009460 2000-09-25

Publications (1)

Publication Number Publication Date
ATE341793T1 true ATE341793T1 (de) 2006-10-15

Family

ID=22589903

Family Applications (1)

Application Number Title Priority Date Filing Date
AT00974510T ATE341793T1 (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 (11)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US8229721B1 (en) 1999-11-03 2012-07-24 Lonza Biologics Plc Apparatus and method for structure-based prediction of amino acid sequences
AU1278801A (en) 1999-11-03 2001-05-14 Algonomics Nv Method for generating information related to the molecular structure of a biomolecule
JP4998477B2 (ja) * 2007-02-07 2012-08-15 富士通株式会社 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.
US9465519B2 (en) * 2011-12-21 2016-10-11 Life Technologies Corporation Methods and systems for in silico experimental designing and performing a biological workflow
US9122523B2 (en) * 2012-05-03 2015-09-01 Nec Laboratories America, Inc. Automatic pipelining framework for heterogeneous parallel computing systems
WO2016077823A2 (en) * 2014-11-14 2016-05-19 D. E. Shaw Research, Llc Suppressing interaction between bonded particles
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
CN120975662B (zh) * 2025-10-21 2026-02-17 尚品霖(厦门)科技有限公司 基于大数据的建筑工程质量监测管理方法及系统

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
US6188965B1 (en) * 1997-04-11 2001-02-13 California Institute Of Technology Apparatus and method for automated protein design
US6490532B1 (en) * 1999-01-25 2002-12-03 Mount Sinai Hospital Method to construct protein structures
US8229721B1 (en) 1999-11-03 2012-07-24 Lonza Biologics Plc Apparatus and method for structure-based prediction of amino acid sequences
AU1278801A (en) 1999-11-03 2001-05-14 Algonomics Nv Method for generating information related to the molecular structure of a biomolecule

Also Published As

Publication number Publication date
US8571806B2 (en) 2013-10-29
WO2001033438A3 (en) 2002-03-28
DE60031147T2 (de) 2007-08-23
EP1226528A2 (de) 2002-07-31
DE60031147D1 (de) 2006-11-16
WO2001033438A2 (en) 2001-05-10
US20110137617A1 (en) 2011-06-09
EP1226528B1 (de) 2006-10-04
AU1278801A (en) 2001-05-14

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