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In-silico prediction of novel drug-target complex of nsp3 of CHIKV through molecular dynamic simulation

Literature reported that nsp3 of CHIKV is an important target for the designing of drug as it involves in the replication, survival etc. Herein, about eighteen million molecules available in the ZINC database are filtered against nsp3 using RASPD. Top five hit drug molecules were then taken from the...

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Dades bibliogràfiques
Publicat a:Heliyon
Autors principals: Kumar, Durgesh, Meena, Mahendra Kumar, Kumari, Kamlesh, Patel, Rajan, Jayaraj, Abhilash, Singh, Prashant
Format: Artigo
Idioma:Inglês
Publicat: Elsevier 2020
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC7452467/
https://ncbi.nlm.nih.gov/pubmed/32904235
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.heliyon.2020.e04720
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