The discovery of suitable lead structures for new drugs from an inexhaustibly large reservoir of theoretically possible compounds (order of magnitude: 10100) is one of the biggest challenges for the pharmaceutical industry. The search for the "needle in the haystack" (a drug candidate) nowadays is often performed by using high throughput screening (HTS), neglecting that even high-throughput methods can only cover an extremely small fraction of all possibilities. Inte:Ligand has developed methods to create new drug candidates and assess their development risks in a rational way.
| Contact Details: |
| Mariahilferstrasse 74B/11 |
| Vienna |
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| 1070 |
| Austria |
| Tel: | |
| Fax: | |
| Email: | office@inteligand.com. |
| WWW: | www.inteligand.com/
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Recent Publications by Inte:Ligand: |  |
Molecule-pharmacophore superpositioning and pattern matching in computational drug design.
Three-dimensional (3D) pharmacophore modeling is a technique for... | 5th June, 2008
| Inte:Ligand GmbH, Mariahilferstrasse 74B/11, 1070 Vienna, Austria.
| Drug Discov Today. 2008 Jan;13(1-2):23-9. Epub 2007 Nov 5.
DOI Direct Link |
Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection--what can we learn from earlier mistakes?
Within the last few years a considerable amount of evaluative studies has... | 31st May, 2008
| Inte:Ligand Software-Entwicklungs- und Consulting GmbH, Clemens Maria
| J Comput Aided Mol Des. 2008 Mar-Apr;22(3-4):213-28. Epub 2008 Jan 15.
DOI Direct Link |
Efficient overlay of small organic molecules using 3D pharmacophores.
Aligning and overlaying two or more bio-active molecules is one of the key... | 4th May, 2007
| Inte:Ligand Softwareentwickungs- und Consulting GmbH, Mariahilferstrasse
| J Comput Aided Mol Des. 2006 Dec;20(12):773-88. Epub 2006 Oct 19.
DOI Direct Link |
High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screening.
In order to assess bioactivity profiles for small organic molecules we... | 4th May, 2007
| Inte:Ligand GmbH, Clemens Maria Hofbauer-Gasse 6, 2344 Maria Enzersdorf,
| J Comput Aided Mol Des. 2006 Dec;20(12):703-15. Epub 2006 Sep 29.
DOI Direct Link |
LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters.
From the historically grown archive of protein-ligand complexes in the... | 26th February, 2005
| Inte:Ligand GmbH, Mariahilferstrasse 74B/11, A-1070 Vienna, Austria.
| J Chem Inf Model. 2005 Jan-Feb;45(1):160-9.
DOI Direct Link |
→View more Inte:Ligand research publications. |
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