X-ray refinement significantly underestimates the level of microscopic heterogeneity in biomolecular crystals.
Kuzmanic Antonija, Pannu Navraj S, Zagrovic Bojan
Of RNA-binding proteins and their targets: interaction determines expression.
Zagrovic Bojan
Analogue encoding of physicochemical properties of proteins in their cognate messenger RNAs.
Polyansky Anton A, Hlevnjak Mario, Zagrovic Bojan
Proteome-wide analysis reveals clues of complementary interactions between mRNAs and their cognate proteins as the physicochemical foundation of the genetic code.
Polyansky Anton A, Hlevnjak Mario, Zagrovic Bojan
A systematic framework for molecular dynamics simulations of protein post-translational modifications.
Petrov Drazen, Margreitter Christian, Grandits Melanie, Oostenbrink Chris, Zagrovic Bojan
Evidence of direct complementary interactions between messenger RNAs and their cognate proteins.
Polyansky Anton A, Zagrovic Bojan
Vienna-PTM web server: a toolkit for MD simulations of protein post-translational modifications.
Margreitter Christian, Petrov Drazen, Zagrovic Bojan
On the Contribution of Linear Correlations to Quasi-harmonic Conformational Entropy in Proteins.
Polyansky Anton A, Kuzmanic Antonija, Hlevnjak Mario, Zagrovic Bojan
Protein Electrostatic Properties Predefining the Level of Surface Hydrophobicity Change upon Phosphorylation.
Polyansky Anton A, Zagrovic Bojan
Sequence signatures of direct complementarity between mRNAs and cognate proteins on multiple levels.
Hlevnjak Mario, Polyansky Anton A, Zagrovic Bojan
Estimation of conformational entropy in protein-ligand interactions: a computational perspective.
Polyansky Anton A, Zubac Ruben, Zagrovic Bojan
Mechanism and thermodynamics of ligand binding to auxin amidohydrolase.
Simunovic Mijo, Zagrovic Bojan, Tomić 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
Microscopic analysis of protein oxidative damage: effect of carbonylation on structure, dynamics, and aggregability of villin headpiece.
Petrov Drazen, Zagrovic Bojan
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