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CABS-flex 2.0: a web server for fast simulations of flexibility of protein structuresNucleic Acids Research, gky356 , 2018.
Aggrescan3D standalone package for structure-based prediction of protein aggregation propertiesBioinformatics btz143, , 2019.
Aggrescan3D (A3D) 2.0: prediction and engineering of protein solubilityNucleic Acids Research 47, W300-W307, 2019.
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.
CABS-flex standalone: a simulation environment for fast modeling of protein flexibilityBioinformatics bty685, 2018.
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.
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.
REFOLDING OF HOMOPOLYMER UNDER QUENCHED FORCEVietnam Journal of Science and Technology 55 (6A), 1-8, 2017.
Protein mechanical unfolding: Importance of non-native interactionsThe Journal of Chemical Physics 131, 215103, 2009.
Explicit-Solvent All-Atom Molecular Dynamics of Peptide AggregationComputational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes: From Bioinformatics to Molecular Quantum Mechanics 541–558, 2019.
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.