Publications
Export 112 results:
[ Author] Title Type Year Filters: First Letter Of Last Name is K [Clear All Filters]
Pages
Aggrescan3D (A3D) 2.0: prediction and engineering of protein solubilityNucleic Acids Research 47, W300-W307, 2019.
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.
Flexible docking of peptides to proteins using CABS-dockProtein Science, 29:211-222 , 2020.
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.
Protein-protein docking with large-scale backbone flexibility using coarse-grained Monte-Carlo simulationsInternational Journal of Molecular Sciences 22(14), , 2021.
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.
Multiscale protein and peptide dockingMultiscale Approaches to Protein Modeling 21-34, 2011.
Molar Excess Enthalpies and Volumes of Mixtures of 2,4,6-trimethylopyridyne with some Aliphatic AlcoholsPolish Journal of Chemistry 54, 1995, 1980.
Kinetics and mechanical stability of the fibril state control fibril formation time of polypeptide chains: A computational studyThe Journal of Chemical Physics 148, 215106, 2018.
Folding Simulations of the A and B Domains of Protein GThe Journal of Physical Chemistry B 116, 6645-6653, 2012.
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.
REFOLDING OF HOMOPOLYMER UNDER QUENCHED FORCEVietnam Journal of Science and Technology 55 (6A), 1-8, 2017.