Intriguing the significance of hydrophobic groove by the inhibitory mechanism of mineralocorticoid receptor bound with spironolactone through mutations using long-range molecular dynamics simulations in conjunction with statistical analysis

Journal of Molecular Modeling 2026 Open access

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Authors: Seshan Gunalan, Kanagasabai Somarathinam, Sekar Kanagaraj, S.M. Jaimohan, Gugan Kothandan

DOI: 10.1007/s00894-026-06639-1

Cited by: 0

References: 24

Fields of Study & Subjects

Computational Drug Discovery Methods Protein Structure and Dynamics Receptor Mechanisms and Signaling

References 24