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Comparison of three nature inspired molecular docking algorithms

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F21%3A73607159" target="_blank" >RIV/61989592:15310/21:73607159 - isvavai.cz</a>

  • Alternative codes found

    RIV/61989592:15640/21:73607159

  • Result on the web

    <a href="http://www.inderscience.com/offer.php?id=113362" target="_blank" >http://www.inderscience.com/offer.php?id=113362</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1504/IJBIC.2021.113362" target="_blank" >10.1504/IJBIC.2021.113362</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Comparison of three nature inspired molecular docking algorithms

  • Original language description

    Molecular docking uses different methods to generate and evaluate the binding between a receptor and a ligand. Three nature-inspired docking programs are compared on a test set of 65 receptor-ligand pairs. AutoDock uses a genetic algorithm inspired by the process of natural selection; PSOVina2LS uses the particle swarm optimisation method, based on the behaviour of animal flocks and PLANTS uses an algorithm based on ant colonies. Using the default parameters, PSOVina2LS achieved the best performance with respect to time required and docking accuracy, followed by PLANTS and, with a large gap, AutoDock. However, all the programs exhibited difficulties with redocking of ligands with more than ten rotable bonds. Copyright © 2021 Inderscience Enterprises Ltd.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    21001 - Nano-materials (production and properties)

Result continuities

  • Project

    Result was created during the realization of more than one project. More information in the Projects tab.

  • Continuities

    P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Others

  • Publication year

    2021

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    International Journal of Bio-Inspired Computation

  • ISSN

    1758-0366

  • e-ISSN

  • Volume of the periodical

    2021 (17)

  • Issue of the periodical within the volume

    1

  • Country of publishing house

    GB - UNITED KINGDOM

  • Number of pages

    8

  • Pages from-to

    34-41

  • UT code for WoS article

    000626056300004

  • EID of the result in the Scopus database

    2-s2.0-85102042745