Metastatic Adenocarcinoma on the Scalp from the Rectum

Huang, Xing; Huang, Liang; Huang, Zhongcheng

doi:10.1007/s11605-020-04853-7

Cited by 7 publications

(10 citation statements)

References 3 publications

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“…Potential energies were calculated using the CHARMM36 force field. 33 The particle mesh Ewald algorithm 34 (1.0 Å grid spacing) was used to calculate system electrostatics. An integration time step of 2 fs was used.…”

Section: Methodsmentioning

confidence: 99%

Polyglutamine Solution-State Structural Propensity Is Repeat Length Dependent

Jakubek¹,

Workman

White³

et al. 2019

J. Phys. Chem. B

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Expanded polyglutamine (polyQ) tracts in protein, which are known to induce their aggregation, are associated with numerous neurodegenerative diseases. Longer polyQ tracts correlate with faster protein aggregation kinetics and a decreased age of onset for polyQ disease symptoms. Here, we use UV resonance Raman spectroscopy, circular dichroism spectroscopy, and metadynamics simulations to investigate the solution-state structures of the D 2 Q 15 K 2 (Q15) and D 2 Q 20 K 2 (Q20) peptides. Using metadynamics, we explore the conformational energy landscapes of Q15 and Q20 and investigate the relative energies and activation barriers between these lowenergy structures. We compare the solution-state structures of D 2 Q 10 K 2 (Q10), Q15, and Q20 to determine the dependence of polyQ structure on the Q tract length. We show that these peptides can adopt two distinct monomeric conformations: an aggregation-resistant PPII-like conformation and an aggregation-prone β-strand-like conformation. We find that longer polyQ peptides have an increased preference for the aggregation-prone β-strand-like conformation. This preference may play an important role in the increased aggregation rate of longer polyQ peptides that are thought to lead to decreased neurodegenerative disease age of onset for polyQ disease patients.

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Section: Methodsmentioning

confidence: 99%

Polyglutamine Solution-State Structural Propensity Is Repeat Length Dependent

Jakubek¹,

Workman

White³

et al. 2019

J. Phys. Chem. B

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“…Based on [15], this paper employs auxiliary graphs to establish the additional search space (extra space brought by correlation) to study the correlation. Therefore, the key point is to construct an effective auxiliary graph to reflect the correlation between services.…”

Section: R E L a T E Dw O R K 21 Qos Correlation-based Composition Modelmentioning

confidence: 99%

QoS Correlation-based Service Composition Algorithm for Multi-constraint Optimal Path

Lin

Yu³

et al. 2021

Preprint

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With the development of network service integration, in order to obtain a better quality of service (QoS) guarantee, In this Paper,We consider the characteristics of integrated network service composition and correlation, this paper proposes a approximate algorithm based on multi-constraint optimal path selection (MCOPS). We analyses the QoS correlation criteria, correlation ratios, and Skyline algorithms to calculate the optimal path by dynamic programming, record the path nodes, and obtain the optimal service composition path that meets the user's demand. Simulation results demonstrate the good performance of the proposed algorithm in both the average calculation time and the solution path quality.

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“…All-atom explicit solvent MD simulations were performed with the CHARMM36m force field 21,22 using the NAMD 2.12 simulation package 23 . The particle mesh Ewald method was used to calculate the long-range ionic interactions.…”

Section: Simulationsmentioning

confidence: 99%

Conformational Flexibility of the Protein–Protein Interfaces of the Ebola Virus VP40 Structural Matrix Filament

et al. 2019

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The Ebola virus (EBOV) is a virulent pathogen that causes severe hemorrhagic fever with a high fatality rate in humans. The EBOV transformer protein VP40 plays crucial roles in viral assembly and budding at the plasma membrane of infected cells. One of VP40's roles is to form the long, flexible, pleomorphic filamentous structural matrix for the virus. Each filament contains three unique interfaces: monomer NTD-NTD to form a dimer, dimer-to-dimer NTD-NTD oligomerization to form a hexamer, and end-to-end hexamer CTD-CTD to build the filament. However, the atomic-level details of conformational flexibility of the VP40 filament is still elusive. In this study, we have performed explicit-solvent, all-atom molecular dynamic simulations to explore the conformational flexibility of the three different interface structures of the filament. Using dynamic network analysis and other calculational methods, we find that the CTD-CTD hexamer interface with weak inter-domain amino acid communities is the most flexible, and the NTD-NTD Oligomer interface with strong inter-domain communities is the least flexible. Our study suggests that the high flexibility of the CTD-CTD interface may be essential for the supple bending of the Ebola filovirus, and such flexibility may present a target for molecular interventions to disrupt the Ebola virus functioning.

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Metastatic Adenocarcinoma on the Scalp from the Rectum

Cited by 7 publications

References 3 publications

Polyglutamine Solution-State Structural Propensity Is Repeat Length Dependent

Polyglutamine Solution-State Structural Propensity Is Repeat Length Dependent

QoS Correlation-based Service Composition Algorithm for Multi-constraint Optimal Path

Conformational Flexibility of the Protein–Protein Interfaces of the Ebola Virus VP40 Structural Matrix Filament

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