The Semiempirical Quantum Mechanical Scoring Function for In Silico Drug Design

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F13%3A33148157" target="_blank" >RIV/61989592:15310/13:33148157 - isvavai.cz</a>
Alternative codes found
RIV/61388963:_____/13:00397518
Result on the web
<a href="http://onlinelibrary.wiley.com/doi/10.1002/cplu.201300199/abstract" target="_blank" >http://onlinelibrary.wiley.com/doi/10.1002/cplu.201300199/abstract</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/cplu.201300199" target="_blank" >10.1002/cplu.201300199</a>

Result language
angličtina
Original language name
The Semiempirical Quantum Mechanical Scoring Function for In Silico Drug Design
Original language description
This Minireview discusses the latest developments in modern quantum mechanics (QM) -based computer-aided drug design, especially using semiempirical QM (SQM) methods. It first tackles biochemical and biophysical quantities and the approaches to their measurements. Protein-ligand affinities are determined mostly by noncovalent interactions. The text thus illustrates how these can be accurately treated with SQM methods. Next, a construction of a modern SQM-based scoring function is presented and its applications listed. In summary, SQM-based scoring is a promising modern efficient strategy to be exploited in computer-aided drug design.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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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)

Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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