PREDICTION OF BINDING AFFINITIES FOR DNA INTERCALATORS BY MOLECULAR DYNAMICS SIMULATIONS
The computer modelling and simulation methods are widely used in rational drug design to obtain information necessary for understanding interactions between a ligand (drug molecule) and its cellular macromolecular target on molecular level. The determination of free energies of binding for ligand-t...
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
Gdańsk University of Technology
2001-07-01
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| Schriftenreihe: | TASK Quarterly |
| Schlagworte: | |
| Online-Zugang: | https://journal.mostwiedzy.pl/TASKQuarterly/article/view/2287 |
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