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An Overview of Molecular Modeling for Drug Discovery with Specific Illustrative Examples of Applications

In this paper we review the current status of high-performance computing applications in the general area of drug discovery. We provide an introduction to the methodologies applied at atomic and molecular scales, followed by three specific examples of implementation of these tools. The first example...

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Vydáno v:Molecules
Hlavní autoři: Aminpour, Maral, Montemagno, Carlo, Tuszynski, Jack A.
Médium: Artigo
Jazyk:Inglês
Vydáno: MDPI 2019
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC6539951/
https://ncbi.nlm.nih.gov/pubmed/31052253
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24091693
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