Homology modeling is that the most accurate computational method to make reliable structural models and is usually utilized in many biological applications. Homology modeling predicts the 3D structure of a question protein through the sequence alignment of template proteins. Generally, the method of homology modeling involves four steps: target identification, sequence alignment, model building and model refinement. Other important factors to be considered in template selection include the consistency of the activation state between the target protein and therefore the template, especially for kinases and GPCR targets. A homology model constructed on the idea of a properly selected template sheds light on the structural characters of the target protein, and high-quality homology models have proven useful in molecular docking-based VS. Mutagenesis results are valuable resources to guage the hypothesis proposed by docking approaches. On the other hand, ligand-based drug discovery is suitable to the targets whose structures are unavailable, yet rich information is accumulated for the ligands. Pharmacophore models derived from high-quality ligands are capable of identifying biologically relevant compounds efficiently and effectively. PBVS provides an important complement to HTS. To avoid wasting time and resources on false positives, an accurate and specific pharmacophore query is highly desirable. GA-guided query optimization offers an attractive venue to sharpen a pharmacophore query derived from a single structure, such that it can discriminate subtle structural variations among the positive and negative compounds. Today homology modelling is one among the foremost common techniques want to build accurate structural models of proteins, and is employed for rationalizing experimental observations. It is widely used in structure based drug design, and the study of inter-individual differences in drug metabolism. Sometimes these homology searches end in multiple possible template structures for the target. Although multiple templates could also be wont to seed parallel modeling runs, it's still an honest idea to settle on one template, or a minimum of a subset of these available to optimize use of computational time.
Keynote: Molecular and Genetic Medicine
Keynote: Molecular and Genetic Medicine
Scientific Tracks Abstracts: Journal of Molecular Biomarkers & Diagnosis
Scientific Tracks Abstracts: Molecular Biomarkers & Diagnosis
Scientific Tracks Abstracts: Journal of Molecular Biomarkers & Diagnosis
Scientific Tracks Abstracts: Molecular Biomarkers & Diagnosis
Posters & Accepted Abstracts: Metabolomics:Open Access
Posters & Accepted Abstracts: Metabolomics:Open Access
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