Anupam Banerjee

Generation of Pathway Signatures by Combining Normal Modes with Weighted Ensemble Simulations

This study combines normal modes with weighted ensemble simulations to generate unbiased protein pathways efficiently.

Small Molecule Activators of Protein Phosphatase 2A Exert Global Stabilising Effects on the Scaffold PR65

The paper investigates how two small molecule activators of PP2A, ATUX-8385 and DBK-776, affect the structural stability of the PR65 scaffold using biophysical and computational methods.

Rational Design of Selective IL-2-based Activators for CAR T Cells Using AlphaFold3 and Physics-Informed Machine Learning

The paper computationally designs selective IL-2-based activators for CAR T cells using AlphaFold3 and physics-informed machine learning to improve therapeutic efficacy while reducing toxicity.

Small molecule activator of phosphatase PP2A remodels scaffold PR65 structural dynamics to promote holoenzyme assembly

The paper investigates how SMAPs bind to PR65, showing that S2 is a stable binding site while S1 is not, and that binding promotes an extended PR65 conformation favorable for PP2A holoenzyme assembly.

The role of structural connectivity on brain function through a Markov model of signal transmission

The paper links brain structure to function by showing that commute time, derived from diffusion MRI, correlates better with functional MRI data than other measures.

Accurate Identification and Mechanistic Evaluation of Pathogenic Missense Variants with Rhapsody-2

Rhapsody-2 is a machine learning tool that accurately predicts pathogenicity of single amino acid variants using sequence, structure, and dynamics features, achieving high performance across benchmark datasets.

Unusual lineage plasticity revealed by YY1 knockout in pro-B cells

This study shows that YY1 knockout in pro-B cells leads to lineage plasticity, enabling the generation of T lineage cells and revealing YY1's role in lineage commitment.