• Skip to primary navigation
  • Skip to main content
  • Skip to primary sidebar
  • Skip to footer

Center for Artificial Intelligence and Cybersecurity – AIRI

  • Home
  • About Us
    • Vision, Mission and Goals
    • Center Activities
    • Center Faculty
    • Steering Committee
    • Press
  • Research
    • Scientific Projects
    • Research Papers
  • Laboratories
    • Machine Learning
    • Natural Speech & Language Processing
    • Blockchain Technology
    • Information Processing & Pattern Recognition
    • AI in Medicine
    • Data Mining
    • Computer Vision
    • Complex Networks
    • Human-Computer Interaction
    • Maritime Cybersecurity
    • Autonomous Navigation
    • AI in Mechatronics
    • AI in Education
    • Hybrid Computational Methods
    • Drug Design
    • Legal Aspects of AI
    • Ethically Aligned AI
    • Cultural Complexity
  • Collaboration
    • Industry Collaboration
    • Industry Projects
    • International Collaboration
  • News
  • Contact

Algorithm-supported, mass and sequence diversity-oriented random peptide library design

28.03.2019

Random peptide libraries that cover large search spaces are often used for the discovery of new binders, even when the target is unknown. To ensure an accurate population representation, there is a tendency to use large libraries. However, parameters such as the synthesis scale, the number of library members, the sequence deconvolution and peptide structure elucidation, are challenging when increasing the library size. To tackle these challenges, we propose an algorithm-supported approach to peptide library design based on molecular mass and amino acid diversity. The aim is to simplify the tedious permutation identification in complex mixtures, when mass spectrometry is used, by avoiding mass redundancy. For this purpose, we applied multi (two- and three-)-objective genetic algorithms to discriminate between library members based on defined parameters. The optimizations led to diverse random libraries by maximizing the number of amino acid permutations and minimizing the mass and/or sequence overlapping. The algorithm-suggested designs offer to the user a choice of appropriate compromise solutions depending on the experimental needs. This implies that diversity rather than library size is the key element when designing peptide libraries for the discovery of potential novel biologically active peptides.

Authors:
Daniela Kalafatović, Goran Mauša, Toni Todorovski, Ernest Giralt
Journal:
Journal of Cheminformatics
Publishing date:
28.03.2019
View original article

Primary Sidebar

Latest Projects

ABsistemDCiCloud

Machine Learning for Knowledge Transfer in Medical Radiology

Estimating River Discharges in Highly Stratified Estuaries

Multilayer Framework for the Information Spreading Characterization in Social Media during the COVID-19 Crisis (InfoCoV)

European Network for assuring food integrity using non-destructive spectral sensors

Latest Research Papers

Neural Natural Language Generation: A Survey on Multilinguality, Multimodality, Controllability and Learning

Entropy-Based Concentration and Instantaneous Frequency of TFDs from Cohen’s, Affine, and Reassigned Classes

Coupled encoding methods for antimicrobial peptide prediction: How sensitive is a highly accurate model?

The Choice of Time–Frequency Representations of Non-Stationary Signals Affects Machine Learning Model Accuracy: A Case Study on Earthquake Detection from LEN-DB Data

Improved Parametrized Multiple Window Spectrogram with Application in Ship Navigation Systems

Latest News

Assoc. prof. Jonatan Lerga received the Croatian Academy of Sciences and Arts award

Dr. Sc. Nikola Lopac successfully defended his doctoral dissertation

Presentation at the conference “Digital Innovation and Technology for People”

Assoc. prof. dr. sc. Jonatan Lerga presented AIRI Center at the IEEE Rijeka : Computer Society Congress 2021

Prof. dr. sc. Ana Mestrovic participated at the Panel on perspectives and real-life applications of AI organized by IEEE Technology and Engineering Management Society

We provide the expertise for solving real world problems using AI

If your company wants to implement artificial intelligence in your products or services, or increase your level of cybersecurity, our multidisciplinary team of scientists is your ideal partner.

Contact us

Footer

Center for Artificial Intelligence and Cybersecurity
  • jlerga@airi.uniri.hr
  • +385 51 406 500

University of Rijeka

University of Rijeka

About the Center

  • About Us
  • News
  • Privacy Policy
  • Contact

Center Activities

  • Laboratories
  • Scientific Projects
  • Industry Projects
  • Research Papers
  • Industry Collaboration
  • International Collaboration

Footer bottom left

© 2020 Center for Artificial Intelligence and Cybersecurity, all rights reserved.

Designed & developed by Nela Dunato Art & Design