Molecular Biophysics Unit (MBU)
Recent Submissions
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Structural characterization of Staphylococcal γ-hemolysin in the presence of a lipid environment using single particle cryo-EM
γ-Hemolysin (γ-HL) is a quintessential bicomponent β-pore forming toxin (β-PFT) belonging to the arsenal of “superbug” Staphylococcus aureus. Here, we performed negative staining-TEM and single particle cryo-EM-based ... -
Integrative multiscale modeling and simulations of biomolecules with experimentally testable predictions
This thesis delves into four separate research works related to Integrative multiscale modeling and simulations of biomolecules. The first work deals with the puzzling case of the Pleckstrin Homology Domain (PHD), which ... -
Electrophysiological studies investigating drug effects on hHCN1 channels and Unravelling pore dynamics in Pannexin channels
Hyperpolarization-activated cyclic nucleotide-gated (HCN) ion channel stands out for its unique characteristics, including sensitivity to transmembrane voltage and cyclic nucleotides, as well as its non-selective passage ... -
Characterization of a Staphylococcus aureus multi-enzyme complex involved in the phenotypic switch and host-pathogen interactions
RNA homeostasis is maintained by synchronizing RNA synthesis and RNA degradation. These processes are synchronized to growth conditions and environmental stimuli, thus enabling bacterial survival in diverse environmental ... -
Design and characterization of stabilized mutants of the SARS-CoV-2 Receptor Binding Domain
The global pandemic caused by SARS-CoV-2 has resulted in millions of deaths worldwide, highlighting the urgent need for effective vaccines. The trimeric spike glycoprotein, particularly the receptor-binding domain (RBD), ... -
Structural and functional characterization of human regulator of telomere elongation helicase 1 (RTEL1)
RTEL1 is an ATP-dependent DNA helicase that translocates on the single-stranded DNA (ssDNA) from 5′ to 3′ direction. It is an iron-sulfur (Fe-S) cluster and DEAH motif-containing helicase. RTEL1 has been shown to play ... -
Design of Immunogens Derived from the Conserved Stem of Influenza Virus Hemagglutinin
Embargo up to 15/7/2025 -
Interaction of hnRNPK with RNA and characterization of its phase separation behavior
Heterogenous ribonucleoproteins (hnRNPs) are a class of proteins initially discovered to protect the nascent transcripts before they develop into primary mRNAs. They are involved in almost all the stages of mRNA metabolism, ... -
Determinants of protein stability and function inferred from saturation mutagenesis and next-generation sequencing
Proteins play a central role in all biological processes. Despite a similar underlying composition, they exhibit immense diversity in structures and functions, a subject of great interest. The research presented in this ... -
Plasticity Paradigms: Navigating Protein Conformational Dynamics and Phenotypic Variability in Biological Systems
The complex dynamics and responses of biological systems to environmental cues are shaped by their inherent plasticity and adaptability. This biological plasticity, operational at multiple levels - ranging from the molecular ... -
Deep mutational scanning to enhance immunogenicity and map antibody responses to HIV-1
Embargo upto 15/7/2025 -
Computational investigation of peripheral membrane protein "Pleckstrin homology domain" and its regulation
The peripheral membrane protein repertoire is around 25% composed of the Pleckstrin homology domain (PHD). PHD are component of the multidomain protein and plays the role of an adaptor in recruitment of these proteins ... -
Role of the unstructured N-terminal region and interacting proteins on the function of Mycobacterium tuberculosis σA
A distinctive feature of the bacterial RNA polymerase is the modular organization. The core of this enzyme, comprised of a dimer of the α subunit assembles with the β, β', and ω subunit. The core RNA polymerase enzyme ... -
Understanding protein structural excursions using residue networks and implications on biological function
The information required for a protein structure to fold into the native conformation is encoded in its sequence. Studying protein structures help to understand their biological function. Molecular interactions between ... -
Understanding the interaction mechanism of bacterial virulence factors and effector proteins with host lipid membrane using single particle cryo-electron microscopy
Pathogenic bacteria employ an array of biological macromolecules and cellular structures that help in the initiation and progression of disease in host organism. These ‘virulence factors’ can either be secreted by the ... -
Solution NMR studies of a potent subtilisin inhibitor from Budgett’s frog and the catalytic subunit of AHAS
This thesis involves a detailed structural study of two molecular systems, a small disulfide-rich peptide LL-TIL and a large catalytic subunit of AHAS. Subtilisin inhibitors play an important role in fighting against ... -
Understanding structure, function, and dynamics in macromolecular complexes
In the scope of my thesis work, a concerted effort was undertaken to elucidate bi- ological functions through the lens of structural analysis, employing protein dy- namics. The role of protein dynamics in shaping and ... -
Conformational Heterogeneity, Solution Structure and Autoregulatory Roles of the MazE9 Antitoxin from Mycobacterium tuberculosis
The work presented in this thesis endeavors to decode the details of the dynamics of MazE9 antitoxin of the Mycobacterium tuberculosis MazEF9 toxin-antitoxin system and the transcriptional autoregulation effected by it. ... -
On mechanisms and conformational dynamics of Drug:H+ Antiporters
Multidrug efflux is an active transport process involving energy consumption to drive antibacterial compounds out of cells. This is performed either through primary active transport, where chemical energy, such as hydrolysis ...
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