SG11201408017VA - Interaction prediction device, interaction prediction method, and computer program product - Google Patents

Interaction prediction device, interaction prediction method, and computer program product

Info

Publication number
SG11201408017VA
SG11201408017VA SG11201408017VA SG11201408017VA SG11201408017VA SG 11201408017V A SG11201408017V A SG 11201408017VA SG 11201408017V A SG11201408017V A SG 11201408017VA SG 11201408017V A SG11201408017V A SG 11201408017VA SG 11201408017V A SG11201408017V A SG 11201408017VA
Authority
SG
Singapore
Prior art keywords
predicted
lllll
interaction
strength
bonding strength
Prior art date
Application number
SG11201408017VA
Other languages
English (en)
Inventor
Hiroaki Kitano
Kun-Yi Hsin
Samik Ghosh
Original Assignee
Okinawa Inst Of Science And Technology Graduate University
Systems Biology Inst
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 Okinawa Inst Of Science And Technology Graduate University, Systems Biology Inst filed Critical Okinawa Inst Of Science And Technology Graduate University
Publication of SG11201408017VA publication Critical patent/SG11201408017VA/en

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 or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
    • G16B15/30Drug targeting using structural data; Docking or binding prediction
    • GPHYSICS
    • G01MEASURING; TESTING
    • G01NINVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N33/00Investigating or analysing materials by specific methods not covered by groups G01N1/00 - G01N31/00
    • G01N33/48Biological material, e.g. blood, urine; Haemocytometers
    • G01N33/50Chemical analysis of biological material, e.g. blood, urine; Testing involving biospecific ligand binding methods; Immunological testing
    • G01N33/68Chemical analysis of biological material, e.g. blood, urine; Testing involving biospecific ligand binding methods; Immunological testing involving proteins, peptides or amino acids
    • 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 or three-dimensional 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
    • 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
    • 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

Landscapes

  • Life Sciences & Earth Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Chemical & Material Sciences (AREA)
  • Physics & Mathematics (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • General Health & Medical Sciences (AREA)
  • Theoretical Computer Science (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Biotechnology (AREA)
  • Evolutionary Biology (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Medical Informatics (AREA)
  • Biophysics (AREA)
  • Medicinal Chemistry (AREA)
  • Molecular Biology (AREA)
  • Biochemistry (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Computing Systems (AREA)
  • Library & Information Science (AREA)
  • Immunology (AREA)
  • Urology & Nephrology (AREA)
  • Biomedical Technology (AREA)
  • Hematology (AREA)
  • Cell Biology (AREA)
  • Microbiology (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • Food Science & Technology (AREA)
  • Analytical Chemistry (AREA)
  • General Physics & Mathematics (AREA)
  • Pathology (AREA)
  • Information Retrieval, Db Structures And Fs Structures Therefor (AREA)
  • Management, Administration, Business Operations System, And Electronic Commerce (AREA)
  • Peptides Or Proteins (AREA)
  • Apparatus Associated With Microorganisms And Enzymes (AREA)
  • Investigating Or Analysing Biological Materials (AREA)
  • Complex Calculations (AREA)
SG11201408017VA 2012-06-13 2013-06-13 Interaction prediction device, interaction prediction method, and computer program product SG11201408017VA (en)

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
JP2012134261A JP5905781B2 (ja) 2012-06-13 2012-06-13 相互作用予測装置、相互作用予測方法、および、プログラム
PCT/JP2013/066323 WO2013187468A1 (ja) 2012-06-13 2013-06-13 相互作用予測装置、相互作用予測方法、および、プログラム

Publications (1)

Publication Number Publication Date
SG11201408017VA true SG11201408017VA (en) 2015-01-29

Family

ID=49758286

Family Applications (1)

Application Number Title Priority Date Filing Date
SG11201408017VA SG11201408017VA (en) 2012-06-13 2013-06-13 Interaction prediction device, interaction prediction method, and computer program product

Country Status (10)

Country Link
US (1) US20150169822A1 (ru)
EP (1) EP2862924A4 (ru)
JP (1) JP5905781B2 (ru)
KR (1) KR101606160B1 (ru)
CN (1) CN104350141B (ru)
AU (1) AU2013275211B2 (ru)
CA (1) CA2876051A1 (ru)
RU (1) RU2607039C2 (ru)
SG (1) SG11201408017VA (ru)
WO (1) WO2013187468A1 (ru)

Families Citing this family (10)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO2017062382A1 (en) * 2015-10-04 2017-04-13 Atomwise Inc. Systems and methods for applying a convolutional network to spatial data
KR102457974B1 (ko) 2015-11-04 2022-10-21 삼성전자주식회사 신규 물질 탐색 방법 및 장치
CA3010226C (en) * 2015-12-31 2023-02-14 Cyclica Inc. Methods for proteome docking to identify protein-ligand interactions
KR101809599B1 (ko) * 2016-02-04 2017-12-15 연세대학교 산학협력단 약물과 단백질 간 관계 분석 방법 및 장치
KR102145318B1 (ko) * 2016-11-24 2020-08-19 한양대학교 산학협력단 비구조-구조 전이 부위를 표적으로 하는 신약 후보 물질 발굴 방법 및 신약 후보 물질 발굴 장치
KR102220653B1 (ko) * 2017-10-30 2021-03-02 서울대학교산학협력단 심화 학습 기반의 약물-표적 단백질 간 상호작용 예측 시스템 및 그 방법
GB2573102A (en) * 2018-04-20 2019-10-30 Drugai Ltd Interaction property prediction system and method
US12094576B2 (en) * 2019-12-16 2024-09-17 John McDevitt System and method for improved genetic modifications to support beneficial adaptation to unanticipated conditions and unintended consequences by utilizing randomization
CN111816252B (zh) * 2020-07-21 2021-08-31 腾讯科技(深圳)有限公司 一种药物筛选方法、装置及电子设备
CN115862768B (zh) * 2022-12-11 2023-09-01 南昌大学 一种用于大规模药物虚拟筛选的优化方法

Family Cites Families (7)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP3443039B2 (ja) * 1999-06-21 2003-09-02 科学技術振興事業団 ネットワーク推定方法および装置
JP2001188768A (ja) * 1999-12-28 2001-07-10 Japan Science & Technology Corp ネットワーク推定方法
FR2888850B1 (fr) * 2005-07-22 2013-01-11 Pf Medicament Nouveaux anticorps anti-igf-ir et leurs applications
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
EP2065818A1 (en) * 2006-09-21 2009-06-03 Astellas Pharma Inc. Method of searching for ligand
WO2010026738A2 (ja) * 2008-09-05 2010-03-11 国立大学法人神戸大学 酵素活性をコンピュータを用いたシミュレーションにより予測する方法
JP5336453B2 (ja) * 2010-10-01 2013-11-06 学校法人沖縄科学技術大学院大学学園 ネットワークモデル統合装置、ネットワークモデル統合システム、ネットワークモデル統合方法、および、プログラム

Also Published As

Publication number Publication date
AU2013275211B2 (en) 2016-05-12
EP2862924A1 (en) 2015-04-22
US20150169822A1 (en) 2015-06-18
EP2862924A4 (en) 2015-12-23
JP5905781B2 (ja) 2016-04-20
CN104350141B (zh) 2016-04-27
CA2876051A1 (en) 2013-12-19
RU2607039C2 (ru) 2017-01-10
JP2013255467A (ja) 2013-12-26
WO2013187468A1 (ja) 2013-12-19
KR101606160B1 (ko) 2016-03-24
AU2013275211A1 (en) 2015-01-15
CN104350141A (zh) 2015-02-11
RU2014153560A (ru) 2016-08-10
KR20150008179A (ko) 2015-01-21

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