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RSC Advances|June 27, 2022
Computational identification of natural product inhibitors against EGFR double mutant (T790M/L858R) by integrating ADMET, machine learning, molecular docking and a dynamics approachSubhash M Agarwal, Prajwal Nandekar, Ravi SainiDrug Discovery Today|August 27, 2013
Human pregnane X receptor: a novel target for anticancer drug developmentVijay Rathod, Sumit Jain, Prajwal Nandekar, et al.Protein Science : a Publication of the Protein Society|July 29, 2023
A systematic pipeline of protein structure selection for computer-aided drug discovery: A case study on T790M/L858R mutant EGFR structuresAgneesh Pratim Das, Prajwal Nandekar, Puniti Mathur, et al.Biochimica Et Biophysica Acta|October 24, 2015
Ligand tunnels in T. brucei and human CYP51: Insights for parasite-specific drug designXiaofeng Yu, Prajwal Nandekar, Ghulam Mustafa, et al.Plos Biology|July 17, 2018
Inter-subunit interactions drive divergent dynamics in mammalian and Plasmodium actin filamentsRoss G Douglas, Prajwal Nandekar, Julia-Elisabeth Aktories, et al.Journal of Chemical Information and Modeling|March 10, 2023
Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit DiscoveryYuqi Zhang, Marton Vass, Da Shi, et al.Pageof 1