Computational targeting of iron uptake proteins in Covid-19 induced mucormycosis to identify inhibitors via molecular dynamics, molecular mechanics and density function theory studies
利用分子动力学、分子力学和密度泛函理论研究,通过计算方法靶向新冠病毒感染诱发的毛霉菌病中的铁摄取蛋白,以识别抑制剂。
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doi:10.1007/s40203-024-00264-7
Sen, Manjima; Priyanka, B M; Anusha, D; Puneetha, S; Setlur, Anagha S; Karunakaran, Chandrashekar; Tandur, Amulya; Prashant, C S; Niranjan, Vidya