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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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Detalles Bibliográficos
Autores principales: Kumar, Durgesh, Meena, Mahendra Kumar, Kumari, Kamlesh, Patel, Rajan, Jayaraj, Abhilash, Singh, Prashant
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7452467/
https://www.ncbi.nlm.nih.gov/pubmed/32904235
http://dx.doi.org/10.1016/j.heliyon.2020.e04720