kousik kumar Bhanja

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Publications (6)

• Mutation-Dependent Conformational Dynamics and Dual-Mode Afatinib Binding in EGFR Exon 19 Variants
  The Journal of Physical Chemistry B 2026 DOI: 10.1021/acs.jpcb.6c03491
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• Mutation-Driven Remodeling of the LRRK2 Kinase Free-Energy Landscape and Its Consequences for Conformational Transitions and Inhibitor Binding Affinity
  Journal of Chemical Information and Modeling 2026 DOI: 10.1021/acs.jcim.6c00156
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• Identification of Novel Fourth-Generation Allosteric Inhibitors Targeting Inactive State of EGFR T790M/L858R/C797S and T790M/L858R Mutations: A Combined Machine Learning and Molecular Dynamics Approach
  The Journal of Physical Chemistry B 2025 DOI: 10.1021/acs.jpcb.4c07651
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• Uncovering the Structural and Binding Insights of Dual Inhibitors Simultaneously Targeting Two Distinct Sites on EGFR Kinase
  The Journal of Physical Chemistry B 2023 DOI: 10.1021/acs.jpcb.3c04337
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• Structural insight into G2019S mutated LRRK2 kinase and brain-penetrant type I inhibitor complex: a molecular dynamics approach
  Journal of Biomolecular Structure and Dynamics 2023 DOI: 10.1080/07391102.2023.2255675
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• Role of the Residue Q1919 in Increasing Kinase Activity of G2019S LRRK2 Kinase: A Computational Study
  ChemPhysChem 2023 DOI: 10.1002/cphc.202300306
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