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Mechanism of Folding and Binding of an Intrinsically Disordered Protein as Revealed by Ab Initio SimulationsJournal of Chemical Theory and Computation 10, 2224–2231, 2014.
Steps towards flexible docking: modeling of three-dimensional structures of the nuclear receptors bound with peptide ligands mimicking co-activators' sequencesThe Journal of Steroid Biochemistry and Molecular Biology 103, 357–60, 2007.
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.
Flexible protein-peptide docking using CABS-dock with knowledge about the binding siteProceedings of the International Work-conference on Bioinformatics and BIOmedical engineering (IWWBIO) in Granada, Spain, 195-201, arXiv:1605.09269 , 2016.
CABS-dock web server for the flexible docking of peptides to proteins without prior knowledge of the binding siteNucleic Acids Research 43 (W1), W419-W424, 2015.
A protocol for CABS-dock protein–peptide docking driven by side-chain contact informationBioMedical Engineering OnLine, 16:73 , 2017.
Molar Excess Enthalpies and Volumes of Mixtures of 2,4,6-trimethylopyridyne with some Aliphatic AlcoholsPolish Journal of Chemistry 54, 1995, 1980.
Mechanical unfolding of DDFLN4 studied by the coarse-grained knowledge-based CABS modelTASK Quarterly 18, 373–378, 2014.
Switch from thermal to force-driven pathways of protein refoldingThe Journal of Chemical Physics 146, 135101, 2017.
Effect of Finite Size on Cooperativity and Rates of Protein FoldingâThe Journal of Physical Chemistry A 110, 671-676, 2006.
An Optimized Replica Exchange Molecular Dynamics ApproachFrom Computational Biophysics to Systems Biology (CBSB11) Proceedings 8, 91-94 , 2012.
A structure-based model fails to probe the mechanical unfolding pathways of the titin I27 domainThe Journal of Chemical Physics 139, 065103, 2013.
New force replica exchange method and protein folding pathways probed by force-clamp techniqueThe Journal of Chemical Physics 128, 045103, 2008.
Preformed template fluctuations promote fibril formation: Insights from lattice and all-atom modelsThe Journal of Chemical Physics 142, 145104 , 2015.
Protein mechanical unfolding: Importance of non-native interactionsThe Journal of Chemical Physics 131, 215103, 2009.
A numerical investigation into possible mechanisms by that the A629P mutant of ATP7A causes Menkes DiseasePhys Chem Chem Phys 12, 11390-7, 2010.
The GOR Method of Protein Secondary Structure Prediction, and its Application as Protein Aggregation Prediction ToolMethods in Molecular Biology 1484, 7-24, 2017.
Velocity scaling for optimizing replica exchange molecular dynamicsThe Journal of Chemical Physics 134, 044124, 2011.
Oligomerization of FVFLM peptides and their ability to inhibit beta amyloid peptides aggregation: consideration as a possible modelPhysical Chemistry Chemical Physics 19, 2990-9, 2017.
Folding Simulations of the A and B Domains of Protein GThe Journal of Physical Chemistry B 116, 6645-6653, 2012.
Monte Carlo study of local orientational order in a semiflexible polymer melt modelMacromolecules 19, 2550–2560, 1986.