B. Gorai

Spontaneous Dimerization and Distinct Packing Modes of Transmembrane Domains in Receptor Tyrosine Kinases

This study uses molecular dynamics simulations to show that transmembrane domains of IR and IGF1R spontaneously dimerize in plasma membranes with distinct packing configurations.

Mechanistic Insights into the Effects of Key Mutations on SARS-CoV-2 RBD-ACE2 Binding

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.

Electric field mediated fibronectin hydroxyapatite interaction: A molecular insight

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

Selection of start codon during mRNA scanning in eukaryotic translation initiation

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.

Concerted interactions between multiple gp41 trimers and the target cell lipidome may be required for HIV-1 entry

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