Harmonic modes as variables to approximately account for receptor flexibility in ligand-receptor docking simulations: Application to DNA minor groove ligand complex
- 1 February 1999
- journal article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 20 (3) , 287-300
- https://doi.org/10.1002/(sici)1096-987x(199902)20:3<287::aid-jcc1>3.0.co;2-h
Abstract
No abstract availableKeywords
This publication has 50 references indexed in Scilit:
- Influence of Drug Binding on DNA Flexibility: A Normal Mode AnalysisJournal of Biomolecular Structure and Dynamics, 1997
- Was läßt sich aus der molekularen Erkennung in Protein‐Ligand‐Komplexen für das Design neuer Wirkstoffe lernen?Angewandte Chemie, 1996
- Molecular docking using surface complementarityProteins-Structure Function and Bioinformatics, 1996
- Ligand—protein docking and rational drug designCurrent Opinion in Structural Biology, 1995
- Structure-Based Molecular DesignAccounts of Chemical Research, 1994
- A good ligand is hard to find: Automated docking methodsPerspectives in Drug Discovery and Design, 1993
- Conformation and Dynamics of Drug-DNA IntercalationJournal of Biomolecular Structure and Dynamics, 1992
- The computer program LUDI: A new method for the de novo design of enzyme inhibitorsJournal of Computer-Aided Molecular Design, 1992
- Dynamics of DNA OligomersJournal of Biomolecular Structure and Dynamics, 1983
- A geometric approach to macromolecule-ligand interactionsJournal of Molecular Biology, 1982