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Article
Protein aggregation: in silico algorithms and applications
Protein aggregation is a topic of immense interest to the scientific community due to its role in several neurodegenerative diseases/disorders and industrial importance. Several in silico techniques, tools, an...
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Article
Open AccessA prospective compound screening contest identified broader inhibitors for Sirtuin 1
Potential inhibitors of a target biomolecule, NAD-dependent deacetylase Sirtuin 1, were identified by a contest-based approach, in which participants were asked to propose a prioritized list of 400 compounds f...
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Article
Open AccessAn iterative compound screening contest method for identifying target protein inhibitors using the tyrosine-protein kinase Yes
We propose a new iterative screening contest method to identify target protein inhibitors. After conducting a compound screening contest in 2014, we report results acquired from a contest held in 2015 in this ...
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Article
Open AccessAutoimmune Responses to Soluble Aggregates of Amyloidogenic Proteins Involved in Neurodegenerative Diseases: Overlap** Aggregation Prone and Autoimmunogenic regions
Why do patients suffering from neurodegenerative diseases generate autoantibodies that selectively bind soluble aggregates of amyloidogenic proteins? Presently, molecular basis of interactions between the solu...
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Article
Open AccessIdentification of potential inhibitors based on compound proposal contest: Tyrosine-protein kinase Yes as a target
A search of broader range of chemical space is important for drug discovery. Different methods of computer-aided drug discovery (CADD) are known to propose compounds in different chemical spaces as hit molecul...
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Article
Open AccessDistinct position-specific sequence features of hexa-peptides that form amyloid-fibrils: application to discriminate between amyloid fibril and amorphous β-aggregate forming peptide sequences
Comparison of short peptides which form amyloid-fibrils with their homologues that may form amorphous β-aggregates but not fibrils, can aid development of novel amyloid-containing nanomaterials with well defin...
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Chapter and Conference Paper
Sequence Analysis and Discrimination of Amyloid and Non-amyloid Peptides
The main cause of several neurodegenerative diseases such as Alzhemier, Parkinson and spongiform encephalopathies is the formation of amyloid fibrils in proteins. The systematic analysis of amyloid and non-amy...
