tell me
The central theme of the Žagrović group is developing and applying theoretical and computational approaches, particularly distributed computing techniques, to study biomolecular dynamics and its influence on our understanding of the structure-function relationship. Distributed computing is a paradigm through which the vast potential of computers connected via internet is utilized for scientific purposes. The Žagrović group is setting up a control center of the Folding@Home distributed computing cluster at MedILS, and is using parts of the cluster as its primary computational tool.
Three different representation of the villin headpiece, one of the fastest folding proteins around. Our group has invested considerable effort into studying how villin headpiece folds into its functional shape.
Distribution of the volunteers involved in the Folding@Home project. The network currently numbers about 200,000 processors.
Scientifically, the group is focusing on the intrinsically unfolded proteins (IUPs), an area, which apart from its fundamental scientific appeal, has enormous biomedical significance. Namely, IUPs are directly associated with a number of important diseases including Parkinson’s, Alzheimer’s and Huntington’s diseases and a number of cancers. Second, the group is studying the role of protein dynamics, as manifested in its connections with the entropic component of the free energy change, in enzymatic activation. Finally, the group is continuing to probe the issues of conformational averaging in scattering and NMR experiments, and developing approaches to improve structure refinement, representation and interpretation. Overall, the group’s ambition is to help move computer simulations to a stage, where they will be a quality, powerful partner to experiment in analyzing realistic proteins on realistic time scales in realistic environments.
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Fiber diffraction patterns of some random walk polymers exhibit features of helical diffraction
Fiber diffraction patterns of some random walk polymers exhibit features of helical diffraction
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tribute
Group members:
dr. Daniela Kruschel, postdoc
dr. Anton Polyansky, postdoc
Antonija Kuzmanić, PhD student
Mario Hlevnjak, PhD student
Dražen Petrov, PhD student (primary advisor: prof. dr. Davor Juretić)
Christian L. Müller, PhD student (primary advisor: prof. dr. Ivo F. Sbalzarini)
Omar Awile, PhD student (primary advisor: prof. dr. Ivo F. Sbalzarini)
Marija Galić, diploma student
Maria Janowska, summer student
Pawel Janowski, summer student
Rita Santos, visiting scientist
Ruben Zubac, masters student
Tibor Pakozdi, summer student 2009
Mijo Šimunović, summer student 2009
Elena Primorac, visiting student, 2008
Tomek Wlodarski, summer student, 2008
Omar Awile, master’s student (jointly with Ivo F. Sbalzarini), 2007
Stipe Tomaš, diploma student, 2008
Collaborators
Vijay S. Pande, prof. dr., Stanford University
Wilfred F. van Gunstern, prof. dr., ETH Zürich
Philippe H. Huenenberger, prof. dr. ETH Zürich
Ivo F. Sbalzarini, prof. dr. ETH Zürich and MedILS
Anita Kriško, dr., INSERM
Group leader
Bojan Žagrović
Financial contributors:
Thanks to :
INSERM (Paris, France)
The city of Split (Croatia)