Practical Application of Computer-Aided Drug Design
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- Type
- book
- Published
- 1997-07-01
- Cited by
- 103
- References
- 0
- OpenAlex
- https://openalex.org/W73918850
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:267866148
Keywords
Pharmacophore, Molecular mechanics, Ligand (biochemistry), Chemistry, Computational biology
References
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- Fast prediction and visualization of protein binding pockets with PASS
- A review of quantitative structure-activity relationship (QSAR) models
- Superimposition evaluation of ecdysteroid agonist chemotypes through multidimensional QSAR
- An extensive ecdysteroid CoMFA
- Protein Alpha Shape Similarity Analysis (PASSA): A new method for mapping protein binding sites. Application in the design of a selective inhibitor of Tyrosine kinase 2
- Computational methods for the structural alignment of molecules
- Simple knowledge-based descriptors to predict protein-ligand interactions. Methodology and validation
- Comparison of two implementations of the incremental construction algorithm in flexible docking of thrombin inhibitors
- CombiDOCK: Structure-based combinatorial docking and library design
- The first completed genome sequence from a teleost fish (Fugu rubripes) adds significant diversity to the nuclear receptor superfamily.
- Three-dimensional quantitative structure-activity relationship (3D-QSAR) studies of various benzodiazepine analogues of γ-secretase inhibitors
- NMR screening in drug discovery.
- Three-dimensional quantitative structure–activity relationship (3D-QSAR) analysis and molecular docking of ATP-competitive triazine analogs of human mTOR inhibitors
- X-ray Crystal Structures of the Estrogen-related Receptor-γ Ligand Binding Domain in Three Functional States Reveal the Molecular Basis of Small Molecule Regulation*
- Oriented substituent pharmacophore PRopErtY space (OSPPREYS): a substituent-based calculation that describes combinatorial library products better than the corresponding product-based calculation.
- Pregnane X receptor (PXR), constitutive androstane receptor (CAR), and benzoate X receptor (BXR) define three pharmacologically distinct classes of nuclear receptors.
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