Publications
Computational study of binding of epothilone A to β-tubulinActa Biochimica Polonica 58, 255–60, 2011.
Coarse-grained Monte Carlo simulations of mucus: structure, dynamics, and thermodynamicsBiophysical Journal 99, 3507–16, 2010.
Slipknotting upon native-like loop formation in a trefoil knot protein.Proceedings of the National Academy of Sciences of the United States of America 107, 15403-8, 2010.
New force replica exchange method and protein folding pathways probed by force-clamp techniqueThe Journal of Chemical Physics 128, 045103, 2008.
Selection of optimal variants of Gō-like models of proteins through studies of stretching.Biophys J 95, 3174-91, 2008.
T-Pile–a package for thermodynamic calculations for biomoleculesBioinformatics (Oxford, England) 23, 1840–1842, 2007.
Three dimensional model of severe acute respiratory syndrome coronavirus helicase ATPase catalytic domain and molecular design of severe acute respiratory syndrome coronavirus helicase inhibitorsJournal of Computer-Aided Molecular Design 20, 305–319, 2006.
A minimal proteinlike lattice model: an alpha-helix motifThe Journal of Chemical Physics 122, 214915, 2005.
A simple lattice model that exhibits a protein-like cooperative all-or-none folding transitionBiopolymers 69, 399–405, 2003.
Computer simulations of protein folding with a small number of distance restraintsActa Biochimica Polonica 49, 683–692, 2002.
Numerical study of the entropy loss of dimerization and the folding thermodynamics of the GCN4 leucine zipperBiophysical Journal 83, 2801–2811, 2002.
De novo simulations of the folding thermodynamics of the GCN4 leucine zipperBiophysical Journal 77, 54–69, 1999.
Dynamics and thermodynamics of beta-hairpin assembly: insights from various simulation techniquesBiophysical Journal 77, 2942–52, 1999.
On the origin of the cooperativity of protein folding: implications from model simulationsProteins 26, 271–287, 1996.
Are proteins ideal mixtures of amino acids? Analysis of energy parameter setsProtein Science: a Publication of the Protein Society 4, 2107–2117, 1995.
Prediction of quaternary structure of coiled coils. Application to mutants of the GCN4 leucine zipperJournal of Molecular Biology 251, 448–67, 1995.
Monte Carlo simulations on an equilibrium globular protein folding modelProceedings of the National Academy of Sciences of the United States of America 83, 7267–71, 1986.