P. K. Maiti

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

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 identifies isotetrone derivatives that inhibit biofilm growth and persister cell formation in M. smegmatis and enhance ciprofloxacin's effectiveness against antibiotic-tolerant cells.

The paper uses molecular dynamics simulations to show how antibodies can rescue HIV-1 mutants that cannot infect host cells by restoring the native gp41 conformation.

This paper uses molecular dynamics simulations to study how Sr2+ doping affects fibronectin adsorption on HA surfaces, finding enhanced adhesion and structural flexibility but no impact on RGD motif availability.

This study examines how key mutations in SARS-CoV-2 RBD affect binding to ACE2 using molecular dynamics simulations and free energy calculations, finding increased binding affinities in mutated variants.

This study develops DNA hydrogels that enhance cell invasion by promoting receptor expression and membrane endocytosis in 3D spheroid models.

This study uses molecular dynamics simulations to investigate how electric fields affect fibronectin adsorption on hydroxyapatite surfaces, revealing changes in protein structure and interactions.

This study uses molecular dynamics simulations to show that the scanning conformation of the 48S PIC can accurately select start codons while rejecting most non-AUG codons.

This study uses molecular dynamics simulations to show that multiple gp41 trimers and host cell lipidomes are required for efficient HIV-1 membrane fusion.

This paper develops an in silico algorithm to identify amino acids stabilizing PFT pores via electrostatic interactions, validated by mutagenesis experiments.