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An overview of recent molecular dynamics applications as medicinal chemistry tools for the undruggable site challenge

Molecular dynamics (MD) has become increasingly popular due to the development of hardware and software solutions and the improvement in algorithms, which allowed researchers to scale up calculations in order to speed them up. MD simulations are usually used to address protein folding issues or prot...

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Bibliografski detalji
Izdano u:Medchemcomm
Glavni autori: Perricone, Ugo, Gulotta, Maria Rita, Lombino, Jessica, Parrino, Barbara, Cascioferro, Stella, Diana, Patrizia, Cirrincione, Girolamo, Padova, Alessandro
Format: Artigo
Jezik:Inglês
Izdano: Royal Society of Chemistry 2018
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC6072422/
https://ncbi.nlm.nih.gov/pubmed/30108981
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c8md00166a
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