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3. Full Text Insight into the selective binding mechanism of DNMT1 and DNMT3A inhibitors: a molecular simulation studyElectronic supplementary information (ESI) available: Table S1. MM/GBSA free energy calculation for the 26 complexes based on the 5 ns MD simulations, Fig. S1. The best binding poses of GSKex1 predicted by the Glide SP/XP docking compared with that of DNMT1/SFG (PDB entry: 3SWR). SFG is colored blue, and the best binding poses of GSKex1 predicted by the Glide XP and SP are colored red and green, respectively. The binding pose of GSKex1 on DNMT3A predicted by the Glide XP is colored magenta, Fig. S2. The RMSDs of the Cα atoms of the protein in the six studied complexes as a function of simulation time, Fig. S3. The RMSDs of the heavy atoms of the ligands in the six studied complexes as a function of simulation time, Fig. S4. Residue-based RMSFs relative to the initial structure during the 150 ns MD simulations, Fig. S5. Comparison of the representative structures of DNMT1/DC-05 and DNMT3A/GSKex1 with the lowest RMSDs relative to the averaged structures extracted from the 150 ns MD trajectories. DNMT1 is colored green, and DNMT3A is colored magenta. The carbon backbone of DC-05 is colored yellow, Fig. S6. Comparison of the representative structures of DNMT1/DC-05 and DNMT3A/GSKex1 with the lowest RMSDs relative to the averaged structures extracted from the 150 ns MD trajectories. DNMT1 is colored green, and DNMT3A is colored magenta. The carbon backbone of GSKex1 is colored yellow, Fig. S7. Convergence of the PMFs given by the US simulations for (A) DNMT1/SFG, (B) DNMT1/DC-05, (C) DNMT1/GSKex1, (D) DNMT3A/SFG, (E) DNMT3A/DC-05, and (F) DNMT3A/GSKex1. See DOI: 10.1039/c9cp02024a
ISSN 1463-9076, 6/2019, Volume 21, Issue 24, pp. 12931 - 12947
DNA methyltransferases (DNMTs), responsible for the regulation of DNA methylation, have been regarded as promising drug targets for cancer therapy. However,... 
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Electroless deposition of a palladium film, e.g., pure Pd or Pd(P), between Au and Ni(P) films has received a great deal of attention from the microelectronic... 
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In this study, a direct chemiluminescent immunoassay for the determination of human serum insulin levels using the ADVIA Centaur® XP system was validated.... 
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6. Insight into the selective binding mechanism of DNMT1 and DNMT3A inhibitors: a molecular simulation study (Electronic supplementary information (ESI) available: Table S1. MM/GBSA free energy calculation for the 26 complexes based on the 5 ns MD simulations, Fig. S1. The best binding poses of GSKex1 predicted by the Glide SP/XP docking compared with that of DNMT1/SFG (PDB entry: 3SWR). SFG is colored blue, and the best binding poses of GSKex1 predicted by the Glide XP and SP are colored red and green, respectively. The binding pose of GSKex1 on DNMT3A predicted by the Glide XP is colored magenta, Fig. S2. The RMSDs of the Cα atoms of the protein in the six studied complexes as a function of simulation time, Fig. S3. The RMSDs of the heavy atoms of the ligands in the six studied complexes as a function of simulation time, Fig. S4. Residue-based RMSFs relative to the initial structure during the 150 ns MD simulations, Fig. S5. Comparison of the representative structures of DNMT1/DC-05 and DNMT3A/GSKex1 with the lowest RMSDs relative to the averaged structures extracted from the 150 ns MD trajectories. DNMT1 is colored green, and DNMT3A is colored magenta. The carbon backbone of DC-05 is colored yellow, Fig. S6. Comparison of the representative structures of DNMT1/DC-05 and DNMT3A/GSKex1 with the lowest RMSDs relative to the averaged structures extracted from the 150 ns MD trajectories. DNMT1 is colored green, and DNMT3A is colored magenta. The carbon backbone of GSKex1 is colored yellow, Fig. S7. Convergence of the PMFs given by the US simulations for (A) DNMT1/SFG, (B) DNMT1/DC-05, (C) DNMT1/GSKex1, (D) DNMT3A/SFG, (E) DNMT3A/DC-05, and (F) DNMT3A/GSKex1. See DOI: 10.1039/c9cp02024a)
Physical Chemistry Chemical Physics : PCCP, ISSN 1463-9076, 01/2019, Volume 21, Issue 24, pp. 12931 - 12947
DNA methyltransferases (DNMTs), responsible for the regulation of DNA methylation, have been regarded as promising drug targets for cancer therapy. However,... 
Backbone | Molecular dynamics | Trajectories | Selectivity | Carbon | Free energy | Proteins | Domains | Dynamic tests | Inhibitors | Simulation | Mathematical analysis | Selective binding | Predictions | DNA methylation | Docking | Catalysis | Methylation | Glide
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Surface & Coatings Technology, ISSN 0257-8972, 09/2018, Volume 350, p. 874
Electroless deposition of a palladium film, e.g., pure Pd or Pd(P), between Au and Ni(P) films has received a great deal of attention from the microelectronic... 
Gold | Intermetallic compounds | Shear resistance | Emission analysis | Electroless deposition | Shear strength | Ductile-brittle transition | Palladium | Solderability | Tin base alloys | Surface finish | Silver | Transmission electron microscopy | Tin | Ductile fracture | Nickel | Microstructure | Reliability | Copper | Soldering | Electroless plating | Interfacial strength | Electron probes
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Journal of Alloys and Compounds, ISSN 0925-8388, 02/2012, Volume 515, pp. 39 - 43
Sr Ca P O :Eu (x = 0 - 2) phosphors with intense and adjustable blue emission are prepared by solid state reaction. The crystal phase evolution and correlated... 
Structure | Phosphor | Photoluminescence | Field strength | Low energy | White light | Phase shift | Crystals | Emission | Adjustable
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Small, ISSN 1613-6810, 11/2017, Volume 13, Issue 42, p. n/a
In article number 1701881, Wanli Ma, Shaojuan Li, Qiaoliang Bao, and co‐workers demonstrate highly responsive and flexible broadband graphene photodetectors... 
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Wei sheng yan jiu = Journal of hygiene research, ISSN 1000-8020, 11/2019, Volume 48, Issue 6, p. 919
To investigate the association of DNA repair gene XPB, XPD and XPG gene polymorphisms and haplotypes with genetic susceptibility to lung cancer. A case-control... 
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We investigate the optomechanical properties of tensile-strained ternary InxGa1-xP nanomembranes grown on GaAs. This material system combines the benefits of... 
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Bioresource Technology, ISSN 0960-8524, 09/2018, Volume 263, pp. 541 - 547
•Sun-cured combined with torrefaction is conducive to the energy utilization of hybrid pennisetum.•Element content and fuel ratio are amplified significantly... 
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It has been shown that the segregation coefficients in III-V ternary systems depend on substrate orientation. This effect was observed, in particular, in the... 
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