AU7390994A - Molecular modelling and drug design - Google Patents
Molecular modelling and drug designInfo
- Publication number
- AU7390994A AU7390994A AU73909/94A AU7390994A AU7390994A AU 7390994 A AU7390994 A AU 7390994A AU 73909/94 A AU73909/94 A AU 73909/94A AU 7390994 A AU7390994 A AU 7390994A AU 7390994 A AU7390994 A AU 7390994A
- Authority
- AU
- Australia
- Prior art keywords
- drug design
- molecular modelling
- modelling
- molecular
- drug
- Prior art date
- Legal status (The legal status 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 status listed.)
- Abandoned
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)
- Analytical Chemistry (AREA)
- Biochemistry (AREA)
- Genetics & Genomics (AREA)
- Molecular Biology (AREA)
- Proteomics, Peptides & Aminoacids (AREA)
- Computing Systems (AREA)
- Peptides Or Proteins (AREA)
Applications Claiming Priority (3)
Application Number | Priority Date | Filing Date | Title |
---|---|---|---|
DK960/93 | 1993-08-25 | ||
DK93960A DK96093D0 (en) | 1993-08-25 | 1993-08-25 | IMPROVEMENTS IN MOLECULAR MODELING AND DRUG DESIGN |
PCT/IB1994/000257 WO1995006293A1 (en) | 1993-08-25 | 1994-08-25 | Molecular modelling and drug design |
Publications (1)
Publication Number | Publication Date |
---|---|
AU7390994A true AU7390994A (en) | 1995-03-21 |
Family
ID=8099445
Family Applications (1)
Application Number | Title | Priority Date | Filing Date |
---|---|---|---|
AU73909/94A Abandoned AU7390994A (en) | 1993-08-25 | 1993-08-25 | Molecular modelling and drug design |
Country Status (3)
Country | Link |
---|---|
AU (1) | AU7390994A (en) |
DK (1) | DK96093D0 (en) |
WO (1) | WO1995006293A1 (en) |
Families Citing this family (21)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
US6872542B1 (en) | 1993-11-18 | 2005-03-29 | Siga Pharmaceuticals, Inc. | Treatment or prophylaxis of diseases caused by pilus-forming bacteria |
ATE271060T1 (en) * | 1993-11-18 | 2004-07-15 | Univ Washington | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS |
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 |
US7727713B2 (en) | 2001-06-20 | 2010-06-01 | Nuevolution A/S | Templated molecules and methods for using such molecules |
DE60324778D1 (en) | 2002-03-15 | 2009-01-02 | Nuevolution As | AN IMPROVED METHOD FOR SYNTHESIS OF MATTRESS-RELATED 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 |
CN106337046B (en) | 2002-10-30 | 2021-03-23 | 纽韦卢森公司 | Method for synthesizing bifunctional complexes |
EP2175019A3 (en) | 2002-12-19 | 2011-04-06 | Nuevolution A/S | Quasirandom structure and function guided synthesis methods |
EP1597395A2 (en) | 2003-02-21 | 2005-11-23 | Nuevolution A/S | Method for producing second-generation library |
ATE447626T1 (en) | 2003-09-18 | 2009-11-15 | Nuevolution As | METHOD FOR OBTAINING STRUCTURAL INFORMATION FROM ENCODED MOLECULES AND FOR SELECTING COMPOUNDS |
PT3305900T (en) * | 2005-12-01 | 2021-10-27 | Nuevolution As | 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 |
KR102091207B1 (en) | 2009-02-13 | 2020-03-20 | 엑스-켐, 인크. | 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 |
EA032438B1 (en) | 2011-09-07 | 2019-05-31 | Икс-Чем, Инк. | Methods for tagging dna-encoded libraries |
NZ739931A (en) | 2012-07-13 | 2019-08-30 | X Chem Inc | Dna-encoded libraries having encoding oligonucleotide linkages not readable by polymerases |
WO2015061602A1 (en) * | 2013-10-23 | 2015-04-30 | Dow Global Technologies Llc | Methods, systems, and devices for designing molecules |
CN113744815A (en) * | 2020-05-28 | 2021-12-03 | 南京理工大学 | MD/QM/CSM verification method for self-assembled supramolecular material |
-
1993
- 1993-08-25 AU AU73909/94A patent/AU7390994A/en not_active Abandoned
- 1993-08-25 DK DK93960A patent/DK96093D0/en not_active Application Discontinuation
-
1994
- 1994-08-25 WO PCT/IB1994/000257 patent/WO1995006293A1/en active Application Filing
Also Published As
Publication number | Publication date |
---|---|
WO1995006293A1 (en) | 1995-03-02 |
DK96093D0 (en) | 1993-08-25 |
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