Bojan Zagrovic
Bojan Zagrovic
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Cited by
Cited by
Random-coil behavior and the dimensions of chemically unfolded proteins
JE Kohn, IS Millett, J Jacob, B Zagrovic, TM Dillon, N Cingel, RS Dothager, ...
Proceedings of the National Academy of Sciences 101 (34), 12491-12496, 2004
Atomistic protein folding simulations on the submillisecond time scale using worldwide distributed computing
VS Pande, I Baker, J Chapman, SP Elmer, S Khaliq, SM Larson, YM Rhee, ...
Biopolymers: Original Research on Biomolecules 68 (1), 91-109, 2003
Simulation of folding of a small alpha-helical protein in atomistic detail using worldwide-distributed computing
B Zagrovic, CD Snow, MR Shirts, VS Pande
Journal of molecular biology 323 (5), 927-937, 2002
β-hairpin folding simulations in atomistic detail using an implicit solvent model
B Zagrovic, EJ Sorin, V Pande
Journal of molecular biology 313 (1), 151-169, 2001
The Trp cage: folding kinetics and unfolded state topology via molecular dynamics simulations
CD Snow, B Zagrovic, VS Pande
Journal of the American Chemical Society 124 (49), 14548-14549, 2002
Determination of ensemble-average pairwise root mean-square deviation from experimental B-factors
A Kuzmanic, B Zagrovic
Biophysical journal 98 (5), 861-871, 2010
Conformational selection and induced fit mechanism underlie specificity in noncovalent interactions with ubiquitin
T Wlodarski, B Zagrovic
Proceedings of the National Academy of Sciences 106 (46), 19346-19351, 2009
Native-like mean structure in the unfolded ensemble of small proteins
B Zagrovic, CD Snow, S Khaliq, MR Shirts, VS Pande
Journal of molecular biology 323 (1), 153-164, 2002
Solvent viscosity dependence of the folding rate of a small protein: distributed computing study
B Zagrovic, V Pande
Journal of computational chemistry 24 (12), 1432-1436, 2003
Unusual compactness of a polyproline type II structure
B Zagrovic, J Lipfert, EJ Sorin, IS Millett, WF van Gunsteren, S Doniach, ...
Proceedings of the National Academy of Sciences 102 (33), 11698-11703, 2005
Are current atomistic force fields accurate enough to study proteins in crowded environments?
D Petrov, B Zagrovic
PLoS computational biology 10 (5), e1003638, 2014
Vienna-PTM web server: a toolkit for MD simulations of protein post-translational modifications
C Margreitter, D Petrov, B Zagrovic
Nucleic acids research 41 (W1), W422-W426, 2013
X-ray refinement significantly underestimates the level of microscopic heterogeneity in biomolecular crystals
A Kuzmanic, NS Pannu, B Zagrovic
Nature communications 5 (1), 1-10, 2014
Comparing atomistic simulation data with the NMR experiment: how much can NOEs actually tell us?
B Zagrovic, WF Van Gunsteren
Proteins: Structure, Function, and Bioinformatics 63 (1), 210-218, 2006
A systematic framework for molecular dynamics simulations of protein post-translational modifications
D Petrov, C Margreitter, M Grandits, C Oostenbrink, B Zagrovic
PLoS computational biology 9 (7), e1003154, 2013
How large is an α-helix? Studies of the radii of gyration of helical peptides by small-angle X-ray scattering and molecular dynamics
B Zagrovic, G Jayachandran, IS Millett, S Doniach, VS Pande
Journal of molecular biology 353 (2), 232-241, 2005
Computational analysis of the mechanism and thermodynamics of inhibition of phosphodiesterase 5A by synthetic ligands
B Zagrovic, WF van Gunsteren
Journal of chemical theory and computation 3 (1), 301-311, 2007
Conformational averaging in structural biology: issues, challenges and computational solutions
D Kruschel, B Zagrovic
Molecular Biosystems 5 (12), 1606-1616, 2009
Mechanism of cargo-directed Atg8 conjugation during selective autophagy
D Fracchiolla, J Sawa-Makarska, B Zens, A de Ruiter, G Zaffagnini, ...
Elife 5, e18544, 2016
Structural correspondence between the α-helix and the random-flight chain resolves how unfolded proteins can have native-like properties
B Zagrovic, VS Pande
Nature Structural & Molecular Biology 10 (11), 955-961, 2003
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