| Autor: |
Durba, Sengupta, Krushna, Sonar, Manali, Joshi |
| Rok vydání: |
2017 |
| Předmět: |
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| Zdroj: |
Methods in cell biology. 142 |
| ISSN: |
0091-679X |
| Popis: |
G protein-coupled receptors (GPCRs) are an important class of drug targets owing to their physiological role. A large number of clinically relevant single nucleotide polymorphisms (SNPs) have been observed in GPCRs that are linked to disease susceptibility and adverse drug response. It is therefore important to characterize the variants in order to improve GPCR therapeutics. Here, we discuss computational methods coupling molecular dynamics simulations with docking and free energy calculations to characterize the functional differences in GPCR variants. The hallmark of this approach is the explicit incorporation of receptor and membrane dynamics that allows us to analyze short- and long-range effects in the variant receptors. We use the SNPs reported in β |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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