Intrinsically disordered regions may lower the hydration free energy in proteins: a case study of nudix hydrolase in the bacterium Deinococcus radiodurans.
Awile Omar, Krisko Anita, Sbalzarini Ivo F, Zagrovic Bojan
Hydrophilicity matching - a potential prerequisite for the formation of protein-protein complexes in the cell.
Hlevnjak Mario, Zitkovic Gordan, Zagrovic Bojan
Determination of ensemble-average pairwise root mean-square deviation from experimental B-factors.
Kuzmanic Antonija, Zagrovic Bojan
Conformational averaging in structural biology: issues, challenges and computational solutions.
Kruschel Daniela, Zagrovic Bojan
Conformational selection and induced fit mechanism underlie specificity in noncovalent interactions with ubiquitin.
Wlodarski Tomasz, Zagrovic Bojan
In the eye of the beholder: Inhomogeneous distribution of high-resolution shapes within the random-walk ensemble.
Müller Christian L, Sbalzarini Ivo F, van Gunsteren Wilfred F, Zagrović Bojan, Hünenberger Philippe H
The Mediterranean Institute for Life Sciences--an attempt at scientific excellence in Croatia.
Zagrovic Bojan
Structure and dynamics of two beta-peptides in solution from molecular dynamics simulations validated against experiment.
Zagrovic Bojan, Gattin Zrinka, Lau Justin Kai-Chi, Huber Matthias, van Gunsteren Wilfred F
Childhood of a phoenix: modern biology in Eastern and South-Eastern Europe.
Zagrovic Bojan, Dikic Ivan
Computational study of the mechanism and the relative free energies of binding of anticholesteremic inhibitors to squalene-hopene cyclase.
Schwab Fabienne, van Gunsteren Wilfred F, Zagrovic Bojan
Computational Analysis of the Mechanism and Thermodynamics of Inhibition of Phosphodiesterase 5A by Synthetic Ligands.
Zagrovic Bojan, van Gunsteren Wilfred F
Mechanism and thermodynamics of binding of the polypyrimidine tract binding protein to RNA.
Schmid Nathan, Zagrovic Bojan, van Gunsteren Wilfred F
Simulated unfolded-state ensemble and the experimental NMR structures of villin headpiece yield similar wide-angle solution X-ray scattering profiles.
Zagrovic Bojan, Pande Vijay S
Comparing atomistic simulation data with the NMR experiment: how much can NOEs actually tell us?
Zagrovic Bojan, van Gunsteren Wilfred F
How large is an alpha-helix? Studies of the radii of gyration of helical peptides by small-angle X-ray scattering and molecular dynamics.
Zagrovic Bojan, Jayachandran Guha, Millett Ian S, Doniach Sebastian, Pande Vijay S
Unusual compactness of a polyproline type II structure.
Zagrovic Bojan, Lipfert Jan, Sorin Eric J, Millett Ian S, van Gunsteren Wilfred F, Doniach Sebastian, Pande Vijay S