Prabal Kumar Maiti

This study uses machine learning to predict bNAb-HIV-1 Env binding energies across clades, revealing clade-specific binding patterns and affinity trends.

This paper demonstrates that tilting solid-state nanopores increases DNA dwell time by altering electric field distribution and DNA motion, enhancing single-molecule sensing capabilities.

This study investigates how PTMs modulate peptide translocation through graphene nanopores using molecular dynamics, finding that acetylation and phosphorylation significantly alter dwell-time statistics and current blockade.

This study shows that localized electric-field measurements in nanopore sensing can capture peptide charge patterns more effectively than ionic-current blockade, enabling better peptide discrimination.

This paper demonstrates that DNA nanocages delivering aspirin reduce excitotoxicity and promote neuroprotection in zebrafish models of ischemic stroke.

This study compares Gal-PAMAM and Gal-PETIM dendrimers as siRNA carriers using molecular dynamics simulations, showing Gal-PAMAM has stronger binding at pH 7 while Gal-PETIM shows hydrophobic behavior in polar solvents.

This study investigates how glycans on HIV-1 Env proteins influence bNAb interactions across different clades using computational modeling and simulations.

This study uses MD simulations to investigate how cationic lipids interact with DNA nanocages to enhance drug delivery efficiency.

This study uses molecular dynamics simulations to show that a protamine-mimicking peptide binds preferentially to GC-rich sequences in the major groove and AT-rich sequences in the minor groove of DNA.

This study uses enhanced sampling to reveal how crossover points in PX/DNA structures enhance nuclease resistance by altering helix topology and reducing DNase I binding affinity.

This study uses MD simulations to analyze the self-assembly of mycolic acids in water, revealing structural properties and conformational changes in monolayers and mixtures, with quantitative agreement with experimental results.

This study investigates how the orientation of single amino acids affects current blockades during translocation through graphene nanopores using molecular dynamics simulations.

This study investigates DNA tetrahedral nanocages as a dopamine carrier for treating neurological disorders, showing their ability to deliver dopamine to cells and zebrafish embryos.

This study compares two force fields for modeling mycolic acid monolayers to assess drug permeability and interaction modes in tuberculosis research.