Concepedia

Multiple computer-automated structure evaluation model of the plasma protein binding affinity of diverse drugs

Roustem Saiakhov, Liliana R Stefan, Gilles Klopman

Perspectives in Drug Discovery and Design · 2000 · 67 citations · 19 references

Concepts

Life SciencesBioinformaticsPharmacologyBiomolecular ModelingStructural BioinformaticsStructural BiologyBinding Affinity PredictionMolecular DockingMolecular ModelingProtein BindingProtein StructureProtein-ligand DockingDrug - Target Binding Affinity PredictionDrug-target Binding Affinity PredictionPlasma Protein Binding PredictionProtein-ligand Binding ModelingProtein-ligand Complex ModelingStructure-based Binding PredictionStructure-based Pharmacophore Design

References

19

The Pharmacological Basis of Therapeutics

American Journal of Health-System Pharmacy · 1976 · 8.2K citations

Medicine, Pharmacology, Pharmacotherapy +10

Absolute hardness: companion parameter to absolute electronegativity

Robert G. Parr, Ralph G. Pearson · Journal of the American Chemical Society · 1983 · 7.8K citations

Natural Sciences, Chemistry, Inorganic Chemistry +6

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

David Weininger · Journal of Chemical Information and Computer Sciences · 1988 · 7.6K citations

Natural Sciences, Chemistry, Analytical Chemistry +5

The Pharmacological Basis of Therapeutics, 7th ed

John L. Egle · Journal of Pharmaceutical Sciences · 1986 · 928 citations

Medicine, Pharmacology, Pharmacotherapy +10

Artificial intelligence approach to structure-activity studies. Computer automated structure evaluation of biological activity of organic molecules

Gilles Klopman · Journal of the American Chemical Society · 1984 · 428 citations

Pharmacy, Chemistry, Medicinal Chemistry +11