Computer Aided Drug Design: Success and Limitations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00159816%3A_____%2F16%3A00068476" target="_blank" >RIV/00159816:_____/16:00068476 - isvavai.cz</a>
Alternative codes found
RIV/00216305:26220/16:PU117768
Result on the web
<a href="http://dx.doi.org/10.2174/1381612822666151125000550" target="_blank" >http://dx.doi.org/10.2174/1381612822666151125000550</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.2174/1381612822666151125000550" target="_blank" >10.2174/1381612822666151125000550</a>
Alternative languages
Result language
angličtina
Original language name
Computer Aided Drug Design: Success and Limitations
Original language description
Over the last few decades, computer-aided drug design has emerged as a powerful technique playing a crucial role in the development of new drug molecules. Structure-based drug design and ligand-based drug design are two methods commonly used in computer-aided drug design. In this article, we discuss the theory behind both methods, as well as their successful applications and limitations. To accomplish this, we reviewed structure based and ligand based virtual screening processes. Molecular dynamics simulation, which has become one of the most influential tool for prediction of the conformation of small molecules and changes in their conformation within the biological target, has also been taken into account. Finally, we discuss the principles and concepts of molecular docking, pharmacophores and other methods used in computer-aided drug design.
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
30104 - Pharmacology and pharmacy
Result continuities
Project
<a href="/en/project/ED1.100%2F02%2F0123" target="_blank" >ED1.100/02/0123: St. Anne´s University Hospital Brno - International Clinical Research Center (FNUSA-ICRC)</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Current Pharmaceutical Design
ISSN
1381-6128
e-ISSN
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Volume of the periodical
22
Issue of the periodical within the volume
5
Country of publishing house
NL - THE KINGDOM OF THE NETHERLANDS
Number of pages
10
Pages from-to
572-581
UT code for WoS article
000372071200008
EID of the result in the Scopus database
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