Molecular Docking as a Tool to Virtually Develop Drugs

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F17%3A43914571" target="_blank" >RIV/60461373:22310/17:43914571 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

čeština

Original language name

MOLEKULOVÉ DOKOVÁNÍ JAKO NÁSTROJ PRO VIRTUÁLNÍ NÁVRH LÉČIV

Original language description

Bringing a new drug to the market is a lengthy, risky and expensive endeavor. Money spent on developing new drugs keeps going up each year, which is disproportional to the number of drugs brought to the market. Therefore, it is important to find ways to reduce costs and improve the effectiveness of drug discovery and development. Underlined by fast-paced developments in algorithms and processing power of modern hardware, computational methods have shown great potential in achieving this goal and molecular docking is an important tool in this toolbox. In this work, we briefly introduce the very basic principles of molecular docking and review some important contemporary challenges and developments in this field.

Czech name

MOLEKULOVÉ DOKOVÁNÍ JAKO NÁSTROJ PRO VIRTUÁLNÍ NÁVRH LÉČIV

Czech description

Bringing a new drug to the market is a lengthy, risky and expensive endeavor. Money spent on developing new drugs keeps going up each year, which is disproportional to the number of drugs brought to the market. Therefore, it is important to find ways to reduce costs and improve the effectiveness of drug discovery and development. Underlined by fast-paced developments in algorithms and processing power of modern hardware, computational methods have shown great potential in achieving this goal and molecular docking is an important tool in this toolbox. In this work, we briefly introduce the very basic principles of molecular docking and review some important contemporary challenges and developments in this field.

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10401 - Organic chemistry

Project

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Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2017

Confidentiality

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

Name of the periodical

Chemické listy

ISSN

0009-2770

e-ISSN

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Volume of the periodical

111

Issue of the periodical within the volume

11

Country of publishing house

CZ - CZECH REPUBLIC

Number of pages

6

Pages from-to

754-759

UT code for WoS article

000418342800008

EID of the result in the Scopus database

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