Receptor-ligand interaction and molecular modelling.
A number of computational methods for the description of the ligand-receptor interaction that were developed in the past decade are reviewed in this paper. The central two sections introduce the methods that are already established as useful tools for the qualitative and quantitative description of ligand-receptor complexes, either when the detailed atomic structure of the receptor is known or not. The following section gives two examples of the application of the described methodology on two limiting cases.
Hornák
V
V
Institute of Molecular Biology, Slovak Academy of Sciences, Bratislava. umbivhor@savba.savba.sk
Dvorský
R
R
Sturdík
E
E
D015195:Drug Design; D007700:Kinetics; D008024:Ligands; D008958:Models, Molecular; D008962:Models, Theoretical; D018160:Receptors, Cytoplasmic and Nuclear / Q000737:chemistry* / Q000378:metabolism; D011955:Receptors, Drug / Q000737:chemistry* / Q000378:metabolism; D012984:Software
D008024:Ligands; D018160:Receptors, Cytoplasmic and Nuclear; D011955:Receptors, Drug