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Jagannath Mondal

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Oct 2026

Interfacial Solute Organization Governs Mixed-Osmolyte Compatibility under Salt Stress.

Mixed osmolytes protect charged biomolecular and nanomaterial interfaces under salt stress, but their combined effects are often nonadditive. Here we identify interfacial solute organization as a molecular criterion that determines whether a mixture is protective or antagonistic via combining computer simulations and e...

Susmita Sarkar, Nandita Mohandas, Rayantan Sadhukhan et al. · 0 citations
#protein folding Sep 2026

Convergence Mechanisms of Generative Models in Molecular Conformational Sampling.

The convergence mechanism is established as a practical design principle for molecular generative sampling, clarifying when stochastic diffusion provides robustness and when deterministic transport requires higher representational capacity.

Nagesh B. E., Jagannath Mondal · 0 citations
Open access Jul 2026

Conformation of the Catalytic Lysine is a Key Determinant of 2-Deoxyribose-5-phosphate Aldolase (DERA) Stereoselectivity

2-Deoxyribose-5-Phosphate Aldolase (DERA) is a key enzyme in the pentose phosphate pathway. Due to its C-C bond formation and stereoselective capabilities, DERA has been widely used for biocatalytic applications including the synthesis of chiral intermediates for antiviral and anticancer drugs. While protein engineerin...

S. Dutta, Ananya Nayak, Jeevani Kodru et al. · 0 citations
Open access Aug 2026

SIRT1 Exon 2-Encoded IDR Gates CREB-Dependent Transcriptional Timing During Fasting.

The SIRT1 exon 2-encoded IDR is identified as a non-catalytic regulatory element that contributes to the timing of hepatic transcriptional responses during nutrient stress and impair fasting adaptation and glucose homeostasis.

Arushi Shukla, Subinoy Adhikari, Chinthapalli Balaji et al. · 0 citations

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