MSITE: a new computational tool for comparison of homological proteins in holo formThe Journal of Steroid Biochemistry and Molecular Biology 121, 34-42, 2010.
A numerical investigation into possible mechanisms by that the A629P mutant of ATP7A causes Menkes DiseasePhys Chem Chem Phys 12, 11390-7, 2010.
Protein secondary structure prediction using knowledge-based potentialsInternational Conference on Fuzzy Computation and 2nd International Conference on Neural Computation 370-375, 2010.
Relationship between population of the fibril-prone conformation in the monomeric state and oligomer formation times of peptides: Insights from all-atom simulationsThe Journal of Chemical Physics 132, 165104, 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.
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.
TRACER. A new approach to comparative modeling that combines threading with free-space conformational samplingActa Biochimica Polonica 57, 125–33, 2010.
Dependence of protein mechanical unfolding pathways on pulling speedsThe Journal of Chemical Physics 130, 145102, 2009.
Distance matrix-based approach to protein structure predictionJournal of Structural and Functional Genomics 10, 67–81, 2009.
Dodging the crisis of folding proteins with knots.Proceedings of the National Academy of Sciences of the United States of America 106, 3119-24, 2009.
Mechanical strength of 17,134 model proteins and cysteine slipknots.PLoS Comput Biol 5, e1000547, 2009.
Protein mechanical unfolding: Importance of non-native interactionsThe Journal of Chemical Physics 131, 215103, 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.
Structural changes of vitamin D receptor induced by 20-epi-1alpha,25-(OH)2D3: an insight from a computational analysisThe Journal of Steroid Biochemistry and Molecular Biology 113, 253-8, 2009.
Contact prediction in protein modeling: scoring, folding and refinement of coarse-grained modelsBMC Structural Biology 8, 36, 2008.
Designing an Automatic Pipeline for Protein Structure Prediction Designing an Automatic Pipeline for Protein Structure PredictionFrom Computational Biophysics to Systems Biology (CBSB08) 40, 105–108, 2008.
Fast and accurate methods for predicting short-range constraints in protein modelsJournal of Computer-Aided Molecular Design 22, 783–8, 2008.
Folding pathway of the b1 domain of protein G explored by multiscale modelingBiophysical Journal 94, 726–36, 2008.