Computational analysis of binding of the GBD domain of WASP to different binding partners
Janowska MK, Zubac R, Zagrovic B
Structural, dynamic, and functional aspects of helix association in membranes A computational view.
Polyansky, Anton A; Volynsky, Pavel E; Efremov, Roman G
Design Rule for Colloidal Crystals of DNA-Functionalized Particles.
Martinez-Veracoechea, Francisco J; Mladek, Bianca M; Tkachenko, Alexei V; Frenkel, Daan
Microscopic analysis of protein oxidative damage: effect of carbonylation on structure, dynamics, and aggregability of villin headpiece.
Petrov, Drazen; Zagrovic, Bojan
Mechanism and thermodynamics of ligand binding to auxin amidohydrolase.
Simunovic, Mijo; Zagrovic, Bojan; Tomic, Sanja
Dynamics May Significantly Influence the Estimation of Interatomic Distances in Biomolecular X-ray Structures.
Kuzmanic, Antonija; Kruschel, Daniela; van Gunsteren, Wilfred F; Pannu, Navraj S; Zagrovic, Bojan
Antimicrobial Peptides Induce Growth of Phosphatidylglycerol Domains in a Model Bacterial Membrane
Polyansky A; Ramaswamy R; Volynsky P; Sbalzarini I, Marrink S; Efremov R
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
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; Zagrovi?, Bojan; Hünenberger, Philippe H
Conformational selection and induced fit mechanism underlie specificity in noncovalent interactions with ubiquitin.
Wlodarski, Tomasz; Zagrovic, Bojan
The Mediterranean Institute for Life Sciences--an attempt at scientific excellence in Croatia.
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
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
Childhood of a phoenix: modern biology in Eastern and South-Eastern Europe.
Zagrovic, Bojan; Dikic, Ivan
Folding-unfolding equilibrium of a methylidenesubstituted beta-peptide
Schmid N, Zagrovic B, van Gunsteren WF
Helical signature motif in the fiber diffraction patterns of random walk chains
Computational Analysis of the Mechanism and Thermodynamics of Inhibition of Phosphodiesterase 5A by Synthetic Ligands
Bojan Zagrovic; Wilfred F. van Gunsteren