Conjugacy, Self-Consistency and Bayesian Consensus

Author(s):  
Francisco J. Samaniego
Keyword(s):  
2006 ◽  
Vol 13 (1) ◽  
pp. 139-147
Author(s):  
Robert Ellrodt
Keyword(s):  

2000 ◽  
Vol 653 ◽  
Author(s):  
Celeste Sagui ◽  
Thoma Darden

AbstractFixed and induced point dipoles have been implemented in the Ewald and Particle-Mesh Ewald (PME) formalisms. During molecular dynamics (MD) the induced dipoles can be propagated along with the atomic positions either by interation to self-consistency at each time step, or by a Car-Parrinello (CP) technique using an extended Lagrangian formalism. The use of PME for electrostatics of fixed charges and induced dipoles together with a CP treatment of dipole propagation in MD simulations leads to a cost overhead of only 33% above that of MD simulations using standard PME with fixed charges, allowing the study of polarizability in largemacromolecular systems.


Author(s):  
Jiapeng Liu ◽  
Ting Hei Wan ◽  
Francesco Ciucci

<p>Electrochemical impedance spectroscopy (EIS) is one of the most widely used experimental tools in electrochemistry and has applications ranging from energy storage and power generation to medicine. Considering the broad applicability of the EIS technique, it is critical to validate the EIS data against the Hilbert transform (HT) or, equivalently, the Kramers–Kronig relations. These mathematical relations allow one to assess the self-consistency of obtained spectra. However, the use of validation tests is still uncommon. In the present article, we aim at bridging this gap by reformulating the HT under a Bayesian framework. In particular, we developed the Bayesian Hilbert transform (BHT) method that interprets the HT probabilistic. Leveraging the BHT, we proposed several scores that provide quick metrics for the evaluation of the EIS data quality.<br></p>


2021 ◽  
Vol 15 ◽  
Author(s):  
Muhammad Awais ◽  
Waqar Hussain ◽  
Nouman Rasool ◽  
Yaser Daanial Khan

Background: The uncontrolled growth due to accumulation of genetic and epigenetic changes as a result of loss or reduction in the normal function of Tumor Suppressor Genes (TSGs) and Pro-oncogenes is known as cancer. TSGs control cell division and growth by repairing of DNA mistakes during replication and restrict the unwanted proliferation of a cell or activities, those are the part of tumor production. Objectives: This study aims to propose a novel, accurate, user-friendly model to predict tumor suppressor proteins, which would be freely available to experimental molecular biologists to assist them using in vitro and in vivo studies. Methods: The predictor model has used the input feature vector (IFV) calculated from the physicochemical properties of proteins based on FCNN to compute the accuracy, sensitivity, specificity, and MCC. The proposed model was validated against different exhaustive validation techniques i.e. self-consistency and cross-validation. Results: Using self-consistency, the accuracy is 99%, for cross-validation and independent testing has 99.80% and 100% accuracy respectively. The overall accuracy of the proposed model is 99%, sensitivity value 98% and specificity 99% and F1-score was 0.99. Conclusion: It concludes, the proposed model for prediction of the tumor suppressor proteins can predict the tumor suppressor proteins efficiently, but it still has space for improvements in computational ways as the protein sequences may rapidly increase, day by day.


2003 ◽  
Vol 595 (1) ◽  
pp. L49-L52 ◽  
Author(s):  
M. Bailes ◽  
S. M. Ord ◽  
H. S. Knight ◽  
A. W. Hotan

1998 ◽  
Vol 54 (6) ◽  
pp. 1085-1094 ◽  
Author(s):  
Helge Weissig ◽  
Ilya N. Shindyalov ◽  
Philip E. Bourne

Databases containing macromolecular structure data provide a crystallographer with important tools for use in solving, refining and understanding the functional significance of their protein structures. Given this importance, this paper briefly summarizes past progress by outlining the features of the significant number of relevant databases developed to date. One recent database, PDB+, containing all current and obsolete structures deposited with the Protein Data Bank (PDB) is discussed in more detail. PDB+ has been used to analyze the self-consistency of the current (1 January 1998) corpus of over 7000 structures. A summary of those findings is presented (a full discussion will appear elsewhere) in the form of global and temporal trends within the data. These trends indicate that challenges exist if crystallographers are to provide the community with complete and consistent structural results in the future. It is argued that better information management practices are required to meet these challenges.


2001 ◽  
Vol 694 (3-4) ◽  
pp. 489-510 ◽  
Author(s):  
S.S. Wu ◽  
H.X. Zhang ◽  
Y.J. Yao
Keyword(s):  

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