Event Type: Monthly Lecture

  • Breaking barriers in drug discovery: the fusion of atomistic simulation and machine learning in computational biophysics

    In recent years, the field of drug design has undergone a remarkable transformation due to advancements in computer hardware and algorithms. This talk will explore how computational biophysics tools are driving this revolution, ultimately accelerating therapeutic discovery. The presentation will commence with an introduction to various computational biophysics tools utilized in drug design, providing attendees…

    Read More

  • Modelling the covalent intermediates of the nitrilase superfamily

    The nitrilase superfamily, which includes amidases, are thiol enzymes that catalyze the hydrolysis and condensation of non-peptide, carbon-nitrogen linkages. The mechanism of action of these enzymes remains unknown – but substantial insight has been gained from our studies of the closely related amidases. All the enzymes have a structurally conserved active site grouping comprising two…

    Read More

  • Structural insights into the lysine-specific uptake mechanism for extremely low pH regulation by bacteria

    Under conditions of extremely low pH, in addition to transporting lysine, the lysine-specific permease (LysP) interacts with the transcriptional regulator CadC to upregulate cadBA operon expression. cadBA encodes CadA, which decarboxylates lysine to cadaverine, and CadB, which exports the alkaline product (cadaverine) to the environment to reduce acidity. This process is crucial for bacterial survival…

    Read More

  • Structural insights in DNA replication and repair

    Structural biology has been the most successful applications of physics to biology, providing atomic information on several thousands of macromolecules and complex macromolecular machines. Among these machines, I have always been fascinated by helicases, a family of proteins that act as molecular motors, using the energy from ATP hydrolysis to move along the DNA and…

    Read More