Yadahalli S
Computational Methods and Tools in Antimicrobial Peptide Research
The evolution of antibiotic-resistant bacteria is an ongoing and troubling development that has increased the number of diseases and infections that risk going untreated. There is an urgent need to develop alternative strategies and treatments to address this issue.
ReadKinetic and thermodynamic effects of phosphorylation on p53 binding to MDM2
p53 is frequently mutated in human cancers. Its levels are tightly regulated by the E3 ubiquitin ligase MDM2. The complex between MDM2 and p53 is largely formed by the interaction between the N-terminal domain of MDM2 and the N-terminal transactivation (TA) domain of p53 (residues 15-29).
ReadCharacterizing the Conformational Landscape of MDM2-binding p53 peptides using Molecular Dynamics simulations
The conformational landscapes of p53 peptide variants and phage derived peptide (12/1) variants, all known to bind to MDM2, are studied using hamiltonian replica exchange molecular dynamics simulations.
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