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
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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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
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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