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Filters: Keyword is Computer Simulation [Clear All Filters]
Computational study of binding of epothilone A to β-tubulinActa Biochimica Polonica 58, 255–60, 2011.
Human telomerase model shows the role of the TEN domain in advancing the double helix for the next polymerization stepProceedings of the National Academy of Sciences of the United States of America 108, 9443–8, 2011.
Theoretical study of molecular mechanism of binding TRAP220 coactivator to Retinoid X Receptor alpha, activated by 9-cis retinoic acidThe Journal of Steroid Biochemistry and Molecular Biology 121, 124–9, 2010.
Distance matrix-based approach to protein structure predictionJournal of Structural and Functional Genomics 10, 67–81, 2009.
On the remarkable mechanostability of scaffoldins and the mechanical clamp motif.Proceedings of the National Academy of Sciences of the United States of America 106, 13791-6, 2009.
Contact prediction in protein modeling: scoring, folding and refinement of coarse-grained modelsBMC Structural Biology 8, 36, 2008.
Folding pathway of the b1 domain of protein G explored by multiscale modelingBiophysical Journal 94, 726–36, 2008.
Predicting the complex structure and functional motions of the outer membrane transporter and signal transducer FecABiophysical journal 94, 2482–91, 2008.
Stabilizing effect of knots on proteins.Proceedings of the National Academy of Sciences of the United States of America 105, 19714-9, 2008.
Characterization of protein-folding pathways by reduced-space modelingProceedings of the National Academy of Sciences of the United States of America 104, 12330–5, 2007.
Comparative modeling without implicit sequence alignmentsBioinformatics (Oxford, England) 23, 2522–7, 2007.
Computational analysis of the active sites in binary and ternary complexes of the vitamin D receptorThe Journal of Steroid Biochemistry and Molecular Biology 103, 305-9, 2007.
Protein structure prediction: combining de novo modeling with sparse experimental dataJournal of Computational Chemistry 28, 1668–76, 2007.
Towards the high-resolution protein structure prediction. Fast refinement of reduced models with all-atom force fieldBMC Structural Biology 7, 43, 2007.
BioShell–a package of tools for structural biology computationsBioinformatics (Oxford, England) 22, 621–622, 2006.
Clustering as a supporting tool for structural drug designActa Poloniae Pharmaceutica. Drug Research 63, 436-8, 2006.
Generalized protein structure prediction based on combination of fold-recognition with de novo folding and evaluation of modelsProteins 61 Suppl. 7, 84–90, 2005.
A minimal proteinlike lattice model: an alpha-helix motifThe Journal of Chemical Physics 122, 214915, 2005.