A. Halder

Selective Activation of GPCRs: Molecular Dynamics Shows Siponimod Binds but Fails to Activate S1PR2 Unlike S1PR1

This study uses molecular dynamics to show that Siponimod binds both S1PR1 and S1PR2 but only activates S1PR1 by inducing conformational changes absent in S1PR2.

Intra-DNA k-mer Conservation Patterns Encode Evolutionary Selection of Variants

The paper introduces kGain, a metric quantifying k-mer frequency shifts due to mutations, and shows it predicts adaptive potential across species and experimental systems.

The Hidden Potential of PDE4 Inhibitor Rolipram: A Multifaceted Examination of its Inhibition of MMP2/9 Reveals Therapeutic Implications

This paper investigates rolipram's inhibition of MMP2/9 beyond its PDE4 activity, showing it affects MMP enzymatic activity and stability through direct protein binding.

Local RNA Structure, Ion Hydration Shell and the Energy Barrier for Water Exchange from the Ion Hydration Shell Determine the Mechanism of Ion Condensation on Specific RNA Sites

The paper investigates how local RNA structure, ion hydration shell arrangement, and energy barriers influence metal ion binding to RNA, focusing on a riboswitch aptamer domain.

The metal cofactor zinc and interacting membranes modulate SOD1 conformation-aggregation landscape in an in vitro ALS Model

This study shows that Zn absence, not Cu, affects SOD1 membrane attachment and aggregation in an ALS model, linking it to disease progression.

Occurrences of protonated base triples in RNA are determined by their cooperative binding energies and specific functional requirements

The paper identifies over 55 types of protonated base triples in RNA, showing their structural roles and energetic contributions to RNA stability and dynamics.

Mg2+ Sensing by an RNA Fragment: Role of Mg2+ Coordinated Water Molecules

This study investigates how Mg2+ ions facilitate RNA folding through coordinated water molecules, showing that Mg2+ enables efficient folding while other ions like K+ and Ca2+ do not.