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Sponsored AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI

Author

Suman Chakrabarty

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2 papers indexed here

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Review Jul 2026

Computational strategies for allosteric drug discovery: from cryptic pocket detection to rational design.

A central theme is emphasised: that generative AI delivers speed and breadth, while physics-based simulation supplies thermodynamic rigour, and that their integration, rather than either alone, defines the most promising path forward.

Sutanu Mukhopadhyay, Suman Chakrabarty · 0 citations
Jul 2026

Structural heterogeneity defines the allosteric landscape and conformational selection mechanism of the PDZ2 domain.

It is demonstrated that PDZ2 allostery arises from the coupling between pre-existing structural heterogeneity and ligand-induced network reorganization, providing a mechanistic framework for understanding PDZ regulation and guiding allosteric modulator design.

Sreya Bhowmick, Krishnendu Sinha, Suman Chakrabarty · 1 citation

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