C. Gupta

Multilayer Label Free Non-Faradic Electrochemical Impedance Immunosensor for Cortisol Detection

This paper develops a label-free, non-faradic electrochemical impedance immunosensor for cortisol detection with a dynamic range of 50-200 ng/mL.

Novel Peptide Inhibitor of Human Tumor Necrosis Factor-α has Antiarthritic Activity

The paper designs a peptide inhibitor of TNF-α that reduces inflammation and joint damage in arthritis models.

Revealing a hidden intermediate of rotatory catalysis with X-ray crystallography and Molecular simulations

The paper identifies a hidden intermediate in ATP-hydrolyzing motors using X-ray crystallography and simulations, revealing the rate-limiting step as ADP interaction release.

Mucin-mimetic glycan arrays integrating machine learning for analyzing receptor pattern recognition by influenza A viruses

This study uses a glycan array platform with machine learning to analyze how influenza A virus binding preferences change with receptor presentation and viral propagation conditions.

CryoFold: Ab-initio structure determination from electron density maps using molecular dynamics

CryoFold determines protein structures from electron density maps using molecular dynamics and physical knowledge, producing ensembles of low-energy conformations validated experimentally.

Mind reading of the proteins: Deep-learning to forecast molecular dynamics

This paper uses deep learning to predict molecular dynamics from simulation data, finding that non-equilibrium MD is easier to train and performance improves with atom independence assumptions.

Cooperative Non-bonded Forces Control Membrane Binding of the pH-Low Insertion Peptide pHLIP

This study uses molecular dynamics simulations to model pHLIP's state II and a fast-folding variant, revealing binding mechanisms and helical folding during membrane interaction.