JP3843260B2 - 誘導適合を含めたタンパク質の立体構造構築方法およびその利用 - Google Patents

誘導適合を含めたタンパク質の立体構造構築方法およびその利用 Download PDF

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JP3843260B2
JP3843260B2 JP2002558170A JP2002558170A JP3843260B2 JP 3843260 B2 JP3843260 B2 JP 3843260B2 JP 2002558170 A JP2002558170 A JP 2002558170A JP 2002558170 A JP2002558170 A JP 2002558170A JP 3843260 B2 JP3843260 B2 JP 3843260B2
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dimensional structure
protein
ligand
target protein
atomic coordinates
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JPWO2002057954A1 (ja
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秀明 梅山
克一郎 小松
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IN-SILICO SCIENCES, INC.
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    • 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
    • G16B15/30—Drug targeting using structural data; Docking or binding prediction
    • 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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  • Chemical & Material Sciences (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Health & Medical Sciences (AREA)
  • Physics & Mathematics (AREA)
  • Engineering & Computer Science (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • General Health & Medical Sciences (AREA)
  • Biophysics (AREA)
  • Biotechnology (AREA)
  • Theoretical Computer Science (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Evolutionary Biology (AREA)
  • Medicinal Chemistry (AREA)
  • Medical Informatics (AREA)
  • Organic Chemistry (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Analytical Chemistry (AREA)
  • Biochemistry (AREA)
  • Genetics & Genomics (AREA)
  • Molecular Biology (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • Peptides Or Proteins (AREA)
  • Information Retrieval, Db Structures And Fs Structures Therefor (AREA)
  • Management, Administration, Business Operations System, And Electronic Commerce (AREA)
JP2002558170A 2001-01-19 2002-01-17 誘導適合を含めたタンパク質の立体構造構築方法およびその利用 Expired - Fee Related JP3843260B2 (ja)

Applications Claiming Priority (3)

Application Number Priority Date Filing Date Title
JP2001011783 2001-01-19
JP2001011783 2001-01-19
PCT/JP2002/000286 WO2002057954A1 (fr) 2001-01-19 2002-01-17 Procede pour realiser une structure tridimensionnelle de proteine avec ajustement induit et son utilisation

Related Child Applications (1)

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JP2006013792A Division JP4315960B2 (ja) 2001-01-19 2006-01-23 タンパク質のリガンド結合部位の特定方法およびタンパク質−リガンド複合体の立体構造構築方法

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JPWO2002057954A1 JPWO2002057954A1 (ja) 2004-09-16
JP3843260B2 true JP3843260B2 (ja) 2006-11-08

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JP (1) JP3843260B2 (fr)
WO (1) WO2002057954A1 (fr)

Families Citing this family (7)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP4314128B2 (ja) * 2004-02-24 2009-08-12 株式会社インシリコサイエンス タンパク質立体構造と誘導適合を利用したリガンド探索方法
WO2005114458A1 (fr) * 2004-05-06 2005-12-01 Sarnoff Corporation Sondage informatique de proteines pour identifier des sites de liaison
JP2007219760A (ja) * 2006-02-15 2007-08-30 Fujitsu Ltd ドッキングシミュレーションプログラム、該プログラムを記録した記録媒体、ドッキングシミュレーション装置、およびドッキングシミュレーション方法
JP5942571B2 (ja) * 2012-04-27 2016-06-29 富士通株式会社 計算支援プログラム、計算支援装置、および計算支援方法
EP3026588A1 (fr) * 2014-11-25 2016-06-01 Inria Institut National de Recherche en Informatique et en Automatique Paramètres d'interaction pour l'ensemble d'entrée de structures moléculaires
CN107480429B (zh) * 2017-07-21 2020-07-03 清华大学深圳研究生院 化合物的3d展示方法和系统
JP6995990B2 (ja) * 2018-06-06 2022-02-04 株式会社日立製作所 タンパク質相互作用解析装置及び解析方法

Family Cites Families (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO1996013785A1 (fr) * 1994-10-31 1996-05-09 Akiko Itai Procede pour extraire de nouveaux composes ligands contenus dans une base de donnees a structure tridimensionelle

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JPWO2002057954A1 (ja) 2004-09-16

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