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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Bibliografske podrobnosti

Glavni avtor:	JAN MAZERSKI
Format:	Artigo
Jezik:	Inglês
Izdano:	Gdańsk University of Technology 2001-07-01
Serija:	TASK Quarterly
Teme:	molecular modelling free energy of binding intercalation into DNA linear responce method free energy perturbation method
Online dostop:	https://journal.mostwiedzy.pl/TASKQuarterly/article/view/2287
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