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A novel virtual screening procedure identifies Pralatrexate as inhibitor of SARS-CoV-2 RdRp and it reduces viral replication in vitro.

Haiping ZhangYang YangJunxin LiMin WangKonda Mani SaravananJinli WeiJustin Tze-Yang NgMd. Tofazzal HossainMaoxuan LiuHuiling ZhangXiaohu RenYi PanYin PengYi ShiXiaochun WanYingxia LiuYanjie Wei
Published in: PLoS Comput. Biol. (2020)
Keyphrases
  • virtual screening
  • human immunodeficiency virus
  • drug discovery
  • chemical structures
  • databases
  • similarity searching
  • data structure
  • scoring function
  • data analysis
  • data warehouse
  • high throughput