Publications
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14N NMR nuclear shielding and the electronic structure of dibenzo[1,3a,4,6a]tetrazapentaleneMagnetic Resonance in Chemistry 27, 88–91, 1989.
5-HT2 receptor affinity, docking studies and pharmacological evaluation of a series of 1,3-disubstituted thiourea derivativesEuropean Journal of Medicinal Chemistry 116, 173–186, 2016.
Analysis and optimization of interactions between peptides mimicking the GD2 ganglioside and the monoclonal antibody 14G2aInternational Journal of Molecular Medicine 28, 47–57, 2011.
Assessing energy functions for flexible dockingJournal of Computational Chemistry 19, 1612–1622, 1999.
Assessment of Solvent-Induced Nitrogen Shielding Variations of Triazole SystemsJournal of Magnetic Resonance, Series A 112, 66 - 71, 1995.
Assignments of nitrogen NMR shieldings in azine heterocycles by means of a self-adjusting linear system of incremensInternational Journal of Spectroscopy 7, 315-324, 1989.
BioShell Threader: protein homology detection based on sequence profiles and secondary structure profilesNucleic Acids Research 40, W257–62, 2012.
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.
CABS-fold: server for the de novo and consensus-based prediction of protein structureNucleic Acids Research 41, W406-W411, 2013.
Coarse-grained modeling of protein structure, dynamics and protein-protein interactionsTASK Quarterly 18, 219–229, 2014.
Coarse-grained Protein Modeling: Dynamics, Folding Pathways and Mechanical UnfoldingFrom Computational Biophysics to Systems Biology (CBSB11) Proceedings 8, 83–90, 2012.
Coarse-Grained Protein Models in Structure PredictionComputational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes, Springer Series in Bio-/Neuroinformatics, Adam Liwo, Ed. 1, 25-53, 2014.
Combining Structural Aggregation Propensity and Stability Predictions To Redesign Protein SolubilityMolecular Pharmaceutics 15, 3846-3859, 2018.
Computational reconstruction of atomistic protein structures from coarse-grained modelsComputational and Structural Biotechnology Journal 18, 162-176, 2020.
De novo simulations of the folding of GCN4 and its mutantsModeling of Biomolecular Structures and Mechanisms 8, 95–98, 1995.
Design and synthesis of novel 1H-tetrazol-5-amine based potent antimicrobial agents: DNA topoisomerase IV and gyrase affinity evaluation supported by molecular docking studiesEuropean Journal of Medicinal Chemistry 156, 631 - 640, 2018.
Dinitrogen as a possible internal standard for nitrogen nuclear magnetic resonanceInternational Journal of Spectroscopy 9, 55-59, 1991.
DNA vaccine expressing the mimotope of GD2 ganglioside induces protective GD2 cross-reactive antibody responsesCancer Research 65, 3410–8, 2005.
DNA vaccine expressing the mimotope of GD2 ganglioside induces protective GD2 cross-reactive antibody responsesCancer Research 65, 3410–8, 2005.