Cargando…
Mapping the Druggable Allosteric Space of G-Protein Coupled Receptors: a Fragment-Based Molecular Dynamics Approach
To address the problem of specificity in G-protein coupled receptor (GPCR) drug discovery, there has been tremendous recent interest in allosteric drugs that bind at sites topographically distinct from the orthosteric site. Unfortunately, structure-based drug design of allosteric GPCR ligands has be...
Autores principales: | Ivetac, Anthony, Andrew McCammon, J |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
Blackwell Publishing Ltd
2010
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2918726/ https://www.ncbi.nlm.nih.gov/pubmed/20626410 http://dx.doi.org/10.1111/j.1747-0285.2010.01012.x |
Ejemplares similares
-
Predictive Power of Molecular Dynamics Receptor Structures in Virtual Screening
por: Nichols, Sara E., et al.
Publicado: (2011) -
Simulations of Biased Agonists in the β(2) Adrenergic Receptor with Accelerated Molecular Dynamics
por: Tikhonova, Irina G., et al.
Publicado: (2013) -
Free energy landscape of G-protein coupled receptors, explored by accelerated molecular dynamics
por: Miao, Yinglong, et al.
Publicado: (2014) -
Probe Confined Dynamic Mapping for G Protein-Coupled
Receptor Allosteric Site Prediction
por: Ciancetta, Antonella, et al.
Publicado: (2021) -
Coupling Constant pH Molecular Dynamics with Accelerated Molecular Dynamics
por: Williams, Sarah L., et al.
Publicado: (2010)