ATE358852T1 - VERFAHREN ZUR IDENTIFIZIERUNG VON BINDUNGSSTELLEN MIT EINEM ßMULTI-SCALE APPROACHß - Google Patents

VERFAHREN ZUR IDENTIFIZIERUNG VON BINDUNGSSTELLEN MIT EINEM ßMULTI-SCALE APPROACHß

Info

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
Application number
AT03700921T
Other languages
English (en)
Inventor
Meir Glick
William Graham Richards
Daniel D Robinson
Original Assignee
Isis Innovation
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 Isis Innovation filed Critical Isis Innovation
Application granted granted Critical
Publication of ATE358852T1 publication Critical patent/ATE358852T1/de

Links

Classifications

    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00ICT specially adapted for analysing two-dimensional [2D] or three-dimensional [3D] molecular structures, e.g. structural or functional relations or structure alignment
    • G16B15/30Drug targeting using structural data; Docking or binding prediction
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00ICT specially adapted for analysing two-dimensional [2D] or three-dimensional [3D] molecular structures, e.g. structural or functional relations or structure alignment
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B20/00ICT specially adapted for functional genomics or proteomics, e.g. genotype-phenotype associations
    • G16B20/30Detection of binding sites or motifs
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B35/00ICT specially adapted for in silico combinatorial libraries of nucleic acids, proteins or peptides
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B35/00ICT specially adapted for in silico combinatorial libraries of nucleic acids, proteins or peptides
    • G16B35/20Screening of libraries
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/60In silico combinatorial chemistry
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16BBIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B20/00ICT 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)
AT03700921T 2002-01-25 2003-01-20 VERFAHREN ZUR IDENTIFIZIERUNG VON BINDUNGSSTELLEN MIT EINEM ßMULTI-SCALE APPROACHß ATE358852T1 (de)

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)

* Cited by examiner, † Cited by third party
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

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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