ArticleBiophysical journal1999
Unbinding of retinoic acid from its receptor studied by steered molecular dynamics.
Article in Biophysical journal, 1999. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 43 papers.
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Who cites it
43 citing papers in PubMed, 181 citations in OpenAlex.
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- In silico approach to explore the disruption in the molecular mechanism of human hyaluronidase 1 by mutant E268K that directs Natowicz syndrome.European biophysics journal : EBJ · 2017Article
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- Key Residues and Phosphate Release Routes in the Saccharomyces cerevisiae Pho84 Transceptor: THE ROLE OF TYR179 IN FUNCTIONAL REGULATION.The Journal of biological chemistry · 2016Article
- TRPV1 channel as a target for cancer therapy using CNT-based drug delivery systems.European biophysics journal : EBJ · 2016Article
- Exploring peptide/MHC detachment processes using hierarchical natural move Monte Carlo.Bioinformatics (Oxford, England) · 2016Article
- Nuclear receptor full-length architectures: confronting myth and illusion with high resolution.Trends in biochemical sciences · 2015Article
- Overcoming dissipation in the calculation of standard binding free energies by ligand extraction.Journal of computational chemistry · 2013Article
- Dynamics of nuclear receptor Helix-12 switch of transcription activation by modeling time-resolved fluorescence anisotropy decays.Biophysical journal · 2013Article
- Modeling and simulation of ion channels.Chemical reviews · 2012Review
- Force and Stress along Simulated Dissociation Pathways of Cucurbituril-Guest Systems.Journal of chemical theory and computation · 2012Article
- Analysis of agonist and antagonist effects on thyroid hormone receptor conformation by hydrogen/deuterium exchange.Molecular endocrinology (Baltimore, Md.) · 2011Article
- Structural modeling of high-affinity thyroid receptor-ligand complexes.European biophysics journal : EBJ · 2010Article
- The sodium/galactose symporter crystal structure is a dynamic, not so occluded state.Molecular bioSystems · 2010Article
- Forced unbinding of GPR17 ligands from wild type and R255I mutant receptor models through a computational approach.BMC structural biology · 2010Article
Corrections and comments
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
Abstract
Retinoic acid receptor (RAR) is a ligand-dependent transcription factor that regulates the expression of genes involved in cell growth, differentiation, and development. Binding of the retinoic acid hormone to RAR is accompanied by conformational changes in the protein which induce transactivation or transrepression of the target genes. In this paper we present a study of the hormone binding/unbinding process in order to clarify the role of some of the amino acid contacts and identify possible pathways of the all-trans retinoic acid binding/unbinding to/from human retinoic acid receptor (hRAR)-gamma. Three possible pathways were explored using steered molecular dynamics simulations. Unbinding was induced on a time scale of 1 ns by applying external forces to the hormone. The simulations suggest that the hormone may employ one pathway for binding and an alternative "back door" pathway for unbinding.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.