GrAfSS: a webserver for substructure similarity searching and comparisons in the structures of proteins and RNA
Sign Up to like & getrecommendations! Published in 2022 at "Nucleic Acids Research"
DOI: 10.1093/nar/gkac402
Abstract: Abstract The GrAfSS (Graph theoretical Applications for Substructure Searching) webserver is a platform to search for three-dimensional substructures of: (i) amino acid side chains in protein structures; and (ii) base arrangements in RNA structures. The… read more here.
Keywords: webserver; substructure; similarity searching; grafss webserver ... See more keywords
A Novel Network Science and Similarity-Searching-Based Approach for Discovering Potential Tumor-Homing Peptides from Antimicrobials
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DOI: 10.3390/antibiotics11030401
Abstract: Peptide-based drugs are promising anticancer candidates due to their biocompatibility and low toxicity. In particular, tumor-homing peptides (THPs) have the ability to bind specifically to cancer cell receptors and tumor vasculature. Despite their potential to… read more here.
Keywords: tumor homing; thps; homing peptides; similarity ... See more keywords
Feature Reduction for Molecular Similarity Searching Based on Autoencoder Deep Learning
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DOI: 10.3390/biom12040508
Abstract: The concept of molecular similarity has been commonly used in rational drug design, where structurally similar molecules are examined in molecular databases to retrieve functionally similar molecules. The most used conventional similarity methods used two-dimensional… read more here.
Keywords: autoencoder; similarity; similarity searching; proposed approach ... See more keywords
Improved Deep Learning Based Method for Molecular Similarity Searching Using Stack of Deep Belief Networks
Sign Up to like & getrecommendations! Published in 2020 at "Molecules"
DOI: 10.3390/molecules26010128
Abstract: Virtual screening (VS) is a computational practice applied in drug discovery research. VS is popularly applied in a computer-based search for new lead molecules based on molecular similarity searching. In chemical databases similarity searching is… read more here.
Keywords: belief networks; similarity searching; similarity; deep belief ... See more keywords