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Authors: Preetam Ghosh 1 ; Vijayaraghavan Rangachari 2 and Bhaswati Datta 2

Affiliations: 1 Virginia Commonwealth University, United States ; 2 University of Southern Mississippi, United States

Keyword(s): Alzheimer’s Disease, Protein self-assembly, Ordinary differential equation, Mass-kinetics.

Related Ontology Subjects/Areas/Topics: Agents ; Artificial Intelligence ; Bioinformatics ; Biomedical Engineering ; Computational Molecular Systems ; Enterprise Information Systems ; Information Systems Analysis and Specification ; Methodologies and Technologies ; Operational Research ; Simulation ; Systems Biology

Abstract: The aggregates of amyloid-β (Aβ) peptide are the primary neurotoxic species in the brains of Alzheimer’s patients. We study the molecular-level dynamics of this process employing chemical kinetic simulations by dissecting the aggregation pathway into pre-nucleation, post-nucleation and protofibril elongation stages. Here, we discuss how our earlier identified rate constants for protofibril elongation were incorporated into a simplified simulation of the complete aggregation process to understand the lag-times in the sigmoidal fibril growth curves of fibril formation. We also present some initial findings on the rate constants and possible hypotheses on the nucleation mass involved in the pre-nucleation stage.

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Paper citation in several formats:
Ghosh, P.; Rangachari, V. and Datta, B. (2012). COMPUTATIONAL PREDICTIONS FOR THE NUCLEATION MASS AND LAG TIMES INVOLVED IN Aβ42 PEPTIDE AGGREGATION. In Proceedings of the International Conference on Bioinformatics Models, Methods and Algorithms - BIOINFORMATICS, (BIOSTEC 2012) ISBN 978-989-8425-90-4; ISSN 2184-4305, pages 312-316. DOI: 10.5220/0003782603120316

@conference{bioinformatics12,
author={Preetam Ghosh. and Vijayaraghavan Rangachari. and Bhaswati Datta.},
title={COMPUTATIONAL PREDICTIONS FOR THE NUCLEATION MASS AND LAG TIMES INVOLVED IN Aβ42 PEPTIDE AGGREGATION},
booktitle={Proceedings of the International Conference on Bioinformatics Models, Methods and Algorithms - BIOINFORMATICS, (BIOSTEC 2012)},
year={2012},
pages={312-316},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0003782603120316},
isbn={978-989-8425-90-4},
issn={2184-4305},
}

TY - CONF

JO - Proceedings of the International Conference on Bioinformatics Models, Methods and Algorithms - BIOINFORMATICS, (BIOSTEC 2012)
TI - COMPUTATIONAL PREDICTIONS FOR THE NUCLEATION MASS AND LAG TIMES INVOLVED IN Aβ42 PEPTIDE AGGREGATION
SN - 978-989-8425-90-4
IS - 2184-4305
AU - Ghosh, P.
AU - Rangachari, V.
AU - Datta, B.
PY - 2012
SP - 312
EP - 316
DO - 10.5220/0003782603120316

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