A multistage computational pipeline integrating ligand-based and structure-based screening with ADMET evaluation, molecular dynamic simulation and free energy calculations for the discovery of potential TNIK inhibitors

Talanta 2026

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Authors: Diwakar Kumar Mishra, Rajnish Kumar, Anurag T. K. Baidya, Jatin Jangra, Shashi Kiran Misra, Sanjay Kumar, Ajay Kumar

DOI: 10.1016/j.talanta.2026.130342

Cited by: 1

References: 42

Fields of Study & Subjects

Melanoma and MAPK Pathways Computational Drug Discovery Methods Synthesis and biological activity

References 42