DK96093D0 - Improvements in molecular modelling and drug design - Google Patents

Improvements in molecular modelling and drug design

Info

Publication number
DK96093D0
DK96093D0 DK93960A DK96093A DK96093D0 DK 96093 D0 DK96093 D0 DK 96093D0 DK 93960 A DK93960 A DK 93960A DK 96093 A DK96093 A DK 96093A DK 96093 D0 DK96093 D0 DK 96093D0
Authority
DK
Denmark
Prior art keywords
drug design
molecular modeling
modeling
molecular
drug
Prior art date
Application number
DK93960A
Other languages
English (en)
Inventor
Carmen Medina
Johan Aaqvist
Original Assignee
Symbicom Ab
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 Symbicom Ab filed Critical Symbicom Ab
Priority to AU73909/94A priority Critical patent/AU7390994A/en
Priority to DK93960A priority patent/DK96093D0/da
Publication of DK96093D0 publication Critical patent/DK96093D0/da
Priority to PCT/IB1994/000257 priority patent/WO1995006293A1/en

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
    • 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
    • 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
    • G16C20/50—Molecular design, e.g. of drugs
    • 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
    • G16C10/00—Computational theoretical chemistry, i.e. ICT specially adapted for theoretical aspects of quantum chemistry, molecular mechanics, molecular dynamics or the like

Landscapes

  • Chemical & Material Sciences (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Health & Medical Sciences (AREA)
  • Physics & Mathematics (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • General Health & Medical Sciences (AREA)
  • Medicinal Chemistry (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Biophysics (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Theoretical Computer Science (AREA)
  • Biotechnology (AREA)
  • Medical Informatics (AREA)
  • Evolutionary Biology (AREA)
  • Organic Chemistry (AREA)
  • Analytical Chemistry (AREA)
  • Biochemistry (AREA)
  • Genetics & Genomics (AREA)
  • Molecular Biology (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • Computing Systems (AREA)
  • Peptides Or Proteins (AREA)
DK93960A 1993-08-25 1993-08-25 Improvements in molecular modelling and drug design DK96093D0 (da)

Priority Applications (3)

Application Number Priority Date Filing Date Title
AU73909/94A AU7390994A (en) 1993-08-25 1993-08-25 Molecular modelling and drug design
DK93960A DK96093D0 (da) 1993-08-25 1993-08-25 Improvements in molecular modelling and drug design
PCT/IB1994/000257 WO1995006293A1 (en) 1993-08-25 1994-08-25 Molecular modelling and drug design

Applications Claiming Priority (1)

Application Number Priority Date Filing Date Title
DK93960A DK96093D0 (da) 1993-08-25 1993-08-25 Improvements in molecular modelling and drug design

Publications (1)

Publication Number Publication Date
DK96093D0 true DK96093D0 (da) 1993-08-25

Family

ID=8099445

Family Applications (1)

Application Number Title Priority Date Filing Date
DK93960A DK96093D0 (da) 1993-08-25 1993-08-25 Improvements in molecular modelling and drug design

Country Status (3)

Country Link
AU (1) AU7390994A (da)
DK (1) DK96093D0 (da)
WO (1) WO1995006293A1 (da)

Families Citing this family (21)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
DE69433901T2 (de) * 1993-11-18 2005-07-28 Siga Technologies, Inc. Verbindungen und pharmazeutische zusammensetzungen zur behandlung und prophylaxe bakterieller infektionen
US6872542B1 (en) 1993-11-18 2005-03-29 Siga Pharmaceuticals, Inc. Treatment or prophylaxis of diseases caused by pilus-forming bacteria
US6420127B1 (en) 1994-11-18 2002-07-16 Washington University Compounds and pharmaceutical compositions for the treatment and prophylaxis of bacterial infections
US5854992A (en) * 1996-09-26 1998-12-29 President And Fellows Of Harvard College System and method for structure-based drug design that includes accurate prediction of binding free energy
US5968737A (en) * 1996-11-12 1999-10-19 The University Of Mississippi Method of identifying inhibitors of glutathione S-transferase (GST) gene expression
AU1760001A (en) * 1999-11-10 2001-06-06 Quest Diagnostics Investments Incorporated Use of computationally derived protein structures of genetic polymorphisms in pharmacogenomics and clinical applications
EP1401850A1 (en) 2001-06-20 2004-03-31 Nuevolution A/S Nucleoside derivatives for library preparation
US10731151B2 (en) 2002-03-15 2020-08-04 Nuevolution A/S Method for synthesising templated molecules
WO2004013070A2 (en) 2002-08-01 2004-02-12 Nuevolution A/S Multi-step synthesis of templated molecules
DK3299463T3 (da) 2002-10-30 2020-12-07 Nuevolution As Enzymatisk kodning
ATE450609T1 (de) 2002-12-19 2009-12-15 Nuevolution As Durch quasizufallsstrukturen und funktionen geführte synthesemethode
US20070026397A1 (en) 2003-02-21 2007-02-01 Nuevolution A/S Method for producing second-generation library
WO2005026387A1 (en) 2003-09-18 2005-03-24 Nuevolution A/S A method for obtaining structural information concerning an encoded molecule and method for selecting compounds
LT2336315T (lt) 2005-12-01 2017-11-10 Nuevolution A/S Fermentiniai kodavimo būdai, skirti efektyviai didelių bibliotekų sintezei
US7756674B2 (en) * 2007-08-03 2010-07-13 The Trustees Of Columbia University In The City Of New York Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional
KR102231531B1 (ko) 2009-02-13 2021-03-23 엑스-켐, 인크. Ｄｎａ―코딩된 라이브러리의 생성 및 스크리닝 방법
CA2832672A1 (en) 2010-04-16 2011-10-20 Nuevolution A/S Bi-functional complexes and methods for making and using such complexes
ES2675111T3 (es) 2011-09-07 2018-07-06 X-Chem, Inc. Métodos para etiquetar bibliotecas con codificación de ADN
CN104685115A (zh) 2012-07-13 2015-06-03 X-化学有限公司 具有聚合酶不可读的编码性寡核苷酸连接的dna编码文库
KR20160074629A (ko) * 2013-10-23 2016-06-28 다우 글로벌 테크놀로지스 엘엘씨 분자들을 설계하기 위한 방법들, 시스템들, 및 디바이스들
CN113744815A (zh) * 2020-05-28 2021-12-03 南京理工大学 一种自组装超分子材料的md/qm/csm验证方法

Also Published As

Publication number Publication date
AU7390994A (en) 1995-03-21
WO1995006293A1 (en) 1995-03-02

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Legal Events

Date Code Title Description
A0 Application filed
AHS Application shelved for other reasons than non-payment