Author: Anton Thynell

RXRA regulates transcription as part of a heterodimer with 14 other nuclear receptors, including the peroxisome proliferator-activated receptors (PPARs). Analysis from TCGA raised the possibility that hyperactive PPAR signaling, either due to PPAR gamma gene amplification or RXRA hot-spot mutation (S427F/Y) drives 20-25% of human bladder cancers. Here, we characterize mutant RXRA, demonstrating it induces enhancer/promoter activity in the context of RXRA/PPAR heterodimers in human bladder canc…

Millisecond dynamics of BTK reveal kinome-wide conformational plasticity within the apo kinase domain. Sci Rep. 2017 Nov 15;7(1):15604 Authors: Sultan MM, Denny RA, Unwalla R, Lovering F, Pande VS Abstract…

Related Articles Note: MSM lag time cannot be used for variational model selection. J Chem Phys. 2017 Nov 07;147(17):176101 Authors: Husic BE, Pande VS Abstract The variational principle for conformational…

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The retinoid X receptor α (RXRA) has been implicated in diverse hematological processes. To identify natural ligands of RXRA that are present in hematopoietic cells, we adapted an upstream activation sequence-green fluorescent protein (UAS-GFP) reporter mouse to detect natural RXRA ligands in vivo. We observed reporter activity in diverse types of hematopoietic cells in vivo. Reporter activity increased during granulocyte colony-stimulating factor (G-CSF)-induced granulopoiesis and after pheny…

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Simulated Dynamics of Glycans on Ligand-Binding Domain of NMDA Receptors Reveals Strong Dynamic Coupling between Glycans and Protein Core. J Chem Theory Comput. 2017 Oct 11;: Authors: Sinitskiy AV, Pande…

Transfer Learning from Markov Models Leads to Efficient Sampling of Related Systems. J Phys Chem B. 2017 Sep 22;: Authors: Sultan MM, Pande VS Abstract We recently showed that the…

Related Articles Modeling the mechanism of CLN025 beta-hairpin formation. J Chem Phys. 2017 Sep 14;147(10):104107 Authors: McKiernan KA, Husic BE, Pande VS Abstract Beta-hairpins are substructures found in proteins that…

Under normal cellular conditions, the tumor suppressor protein p53 is kept at low levels in part due to ubiquitination by MDM2, a process initiated by binding of MDM2 to the intrinsically disordered transactivation domain (TAD) of p53. Many experimental and simulation studies suggest that disordered domains such as p53 TAD bind their targets nonspecifically before folding to a tightly associated conformation, but the microscopic details are unclear. Toward a detailed prediction of binding mech…