53 research outputs found

    Molecular Recognition of H3/H4 Histone Tails by the Tudor Domains of JMJD2A: A Comparative Molecular Dynamics Simulations Study

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    Background: Histone demethylase, JMJD2A, specifically recognizes and binds to methylated lysine residues at histone H3 and H4 tails (especially trimethylated H3K4 (H3K4me3), trimethylated H3K9 (H3K9me3) and di, trimethylated H4K20 (H4K20me2, H4K20me3)) via its tandem tudor domains. Crystal structures of JMJD2A-tudor binding to H3K4me3 and H4K20me3 peptides are available whereas the others are not. Complete picture of the recognition of the four histone peptides by the tandem tudor domains yet remains to be clarified. Methodology/Principal Findings: We report a detailed molecular dynamics simulation and binding energy analysis of the recognition of JMJD2A-tudor with four different histone tails. 25 ns fully unrestrained molecular dynamics simulations are carried out for each of the bound and free structures. We investigate the important hydrogen bonds and electrostatic interactions between the tudor domains and the peptide molecules and identify the critical residues that stabilize the complexes. Our binding free energy calculations show that H4K20me2 and H3K9me3 peptides have the highest and lowest affinity to JMJD2A-tudor, respectively. We also show that H4K20me2 peptide adopts the same binding mode with H4K20me3 peptide, and H3K9me3 peptide adopts the same binding mode with H3K4me3 peptide. Decomposition of the enthalpic and the entropic contributions to the binding free energies indicate that the recognition of the histone peptides is mainly driven by favourable van der Waals interactions. Residue decomposition of the binding free energies with backbone and side chain contributions as well as their energetic constituents identify the hotspots in the binding interface of the structures. Conclusion: Energetic investigations of the four complexes suggest that many of the residues involved in the interactions are common. However, we found two receptor residues that were related to selective binding of the H3 and H4 ligands. Modifications or mutations on one of these residues can selectively alter the recognition of the H3 tails or the H4 tails

    The culture history of Madagascar

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    Madagascar's culture is a unique fusion of elements drawn from the western, northern, and eastern shores of the Indian Ocean, and its past has fascinated many scholars, yet systematic archaeological research is relatively recent on the island. The oldest traces of visitors are from the first century AD. Coastal settlements, with clear evidence of ties to the western Indian Ocean trading network, were established in several places over the next millennium. Important environmental changes of both plant and animal communities are documented over this period, including the extinctions of almost all large animal species. Urban life in Madagascar began with the establishment of the entrepĂ´t of Mahilaka on the northwest coast of the island in the twelfth century. At about the same time, communities with ties to the trade network were established around the island's coasts. From the fourteenth to the sixteenth century, social hierarchies developed in several regions of the island. During the succeeding two centuries, Madagascar saw the development of state polities.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/45256/1/10963_2004_Article_BF00997802.pd

    A Laboratory Simulation of the Ionospheric Plasma

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    Considérations sur le produit d'élaboration du thymus

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    Pigache R., Worms G. Considérations sur le produit d'élaboration du thymus. In: Bulletins et Mémoires de la Société d'anthropologie de Paris, VI° Série. Tome 3 fascicule 1-2, 1912. pp. 50-56

    ABSOLUTE MEASUREMENTS OF THE I2(X) HIGH VIBRATIONAL LEVELS IN THE OXYGEN-IODINE REACTION

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    The dissociation with of I2 by O2 ([MATH]) in a Chemical Oxygen Iodine Laser (COIL) cannot occur a single collision. A two-step model where the excited intermediate species is identified with the vibrational states of I2X(O+g), with V between 30 and 43, has been proposed. The existence of these species has already been checked by using laser fluorescence excitation spectroscopy. The aim of this work is to perform absolute measurements of the iodine vibrational levels populations along the reaction zone in order to have a better understanding of the dissociation mechanism

    Experimental and theoretical study of a high-power c.w. chemical oxygen iodine laser(COIL)

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    A theoretical analysis of a kilowatt class COIL system has been performed in order to explain its output power limitation in the range of 600 watts. The influence of the excessive water vapour content on laser output power was studied using two theoretical models. The theoretical and experimental results confirm that decreasing the water vapour concentration by a factor of 2, allows to reach the kilowatt power levels
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