PeptAIm
service for the exploration of virtually generated peptide libraries and selection
of high-affinity ligands towards target proteins
PeptAIm – a unique, AI-powered, bioinformatics tool and service that supports the design and development of molecular diagnostic tests.
PeptAIm functionalities
PeptAIm Benefits
We offer comprehensive services for detection of high-affinity peptides towards any given receptor (sequence or given structure), followed by laboratory validation and synthesis.
The core of the PeptAIm is an innovative, experimentally validated algorithm, supported by machine learning (ML) and artificial intelligence (AI). Our original algorithm optimizes the virtual high-throughput screening (vHTS) and molecular docking of virtual peptide libraries consisting of all possible combinations of amino acid (AA) sequences for a given peptide length (4-12 AAs). Moreover, due to ML and AI support, our algorithm reduce the cost, time and computational power required for such analyses and allows the search of the vast part of chemical space of peptides.
HOW IT WORKS?
Provide your own sequence, structure or any protein structure directly from the Protein Data Bank database
PeptAIm algorithm will scan the protein surface, detect binding areas
Peptide-ligand candidates will be automatically searched, proposed and docked to the receptor,
Our experts validate correctness of the results and generate a full report of the top n candidates for given receptor
Service can be extended to perform laboratory validation and synthesis of the selected ligands
All steps of virtual screening, including iterative process of molecular docking experiments and defined library exploration are run automatically. The output of the analysis is a report with a list of top candidate peptides, that can potentially bind to target protein and be used in molecular diagnosis, as well as the most important information about their structures and binding mode.
Any questions?
To get more information about the platform write to contact@qsarlab.com.
The PeptAIm platform is co-financed by the National Center for Research and Development, under the project POIR.01.01.01-00-1964/20-00, "PeptAlm - a platform based on artificial intelligence for studying peptide-protein interactions from virtually generated peptide libraries"
