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 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
    • 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 or three-dimensional 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)
  • Computing Systems (AREA)
  • Analytical Chemistry (AREA)
  • Biochemistry (AREA)
  • Genetics & Genomics (AREA)
  • Molecular Biology (AREA)
  • Proteomics, Peptides & Aminoacids (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
US6420127B1 (en) 1994-11-18 2002-07-16 Washington University Compounds and pharmaceutical compositions for the treatment and prophylaxis of bacterial infections
DK0730601T3 (da) * 1993-11-18 2005-06-06 Univ Washington Forbindelser og farmaceutiske præparater til behandling af profylakse af bakterieinfektioner
US6872542B1 (en) 1993-11-18 2005-03-29 Siga Pharmaceuticals, Inc. Treatment or prophylaxis of diseases caused by pilus-forming bacteria
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
WO2001035316A2 (en) * 1999-11-10 2001-05-17 Structural Bioinformatics, Inc. Computationally derived protein structures in pharmacogenomics
WO2002102820A1 (en) 2001-06-20 2002-12-27 Nuevolution A/S Nucleoside derivatives for library preparation
EP1487978B1 (en) 2002-03-15 2008-11-19 Nuevolution A/S An improved method for synthesising templated molecules
EP1539980B1 (en) 2002-08-01 2016-02-17 Nuevolution A/S Library of complexes comprising small non-peptide molecules and double-stranded oligonucleotides identifying the molecules
AU2003273792B2 (en) 2002-10-30 2011-07-07 Nuevolution A/S Method for the synthesis of a bifunctional complex
EP2175019A3 (en) 2002-12-19 2011-04-06 Nuevolution A/S Quasirandom structure and function guided synthesis methods
WO2004074429A2 (en) 2003-02-21 2004-09-02 Nuevolution A/S Method for producing second-generation library
DE602004023960D1 (de) 2003-09-18 2009-12-17 Nuevolution As Methode zur Gewinnung struktureller Informationen kodierter Moleküle und zur Selektion von Verbindungen
WO2007062664A2 (en) * 2005-12-01 2007-06-07 Nuevolution A/S Enzymatic encoding methods for efficient synthesis of large libraries
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
AP3396A (en) 2009-02-13 2015-08-31 Chem Inc X Methods of creating and screening DNA-encoded libraries
EP3540059A1 (en) 2010-04-16 2019-09-18 Nuevolution A/S Bi-functional complexes and methods for making and using such complexes
SG11201400374TA (en) 2011-09-07 2014-09-26 Chem Inc X Methods for tagging dna-encoded libraries
EP2872680B1 (en) 2012-07-13 2018-04-04 X-Chem, Inc. Dna-encoded libraries having encoding oligonucleotide linkages not readable by polymerases
BR112016003993A2 (pt) * 2013-10-23 2017-09-12 Dow Global Technologies Llc método, dispositivo de computação e sistema
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

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A0 Application filed
AHS Application shelved for other reasons than non-payment