Publications
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Docking interactions determine early cleavage events in insulin proteolysis by pepsin: Experiment and simulationInternational Journal of Biological Macromolecules 149, 1151-1160, 2020.
Docking of peptides to GPCRs using a combination of CABS-dock with FlexPepDock refinementBriefings in Bioinformatics , 2020.
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.
Distributions of amino acids suggest that certain residue types more effectively determine protein secondary structureJournal of Molecular Modeling 19, 4337-48, 2013.
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.
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.
Denatured proteins and early folding intermediates simulated in a reduced conformational spaceActa Biochimica Polonica 53, 131–143, 2006.
DFT Calculation of Nitrogen Chemical Shifts in the Active Site of Vitamin D ReceptorPolish Journal of Chemistry Vol. 80, no 7, 1171–1183, 2006.
DNA vaccine expressing the mimotope of GD2 ganglioside induces protective GD2 cross-reactive antibody responsesCancer Research 65, 3410–8, 2005.
Derivation of protein-specific pair potentials based on weak sequence fragment similarityProteins: Structure, Function, Bioinformatics 38, 3–16, 2000.
De novo predictions of the quaternary structure of leucine zippers and other coiled coilsInternational Journal of Quantum Chemistry 75, 165–176, 1999.
De novo simulations of the folding thermodynamics of the GCN4 leucine zipperBiophysical Journal 77, 54–69, 1999.
Dynamics and thermodynamics of beta-hairpin assembly: insights from various simulation techniquesBiophysical Journal 77, 2942–52, 1999.
Derivation and testing of pair potentials for protein folding. When is the quasichemical approximation correct?Protein Science 6, 676–688, 1997.
Determinants of secondary structure of polypeptide chains: Interplay between short range and burial interactionsJournal of Chemical Physics 107, 953–964, 1997.
A detailed 1H and 13C NMR study of a repeating disaccharide of hyaluronan: the effect of sodium and calcium ionsCarbohydrate Research 286, 151 - 159, 1996.
A detailed 1H and 13C NMR study of a repeating disaccharide of hyaluronan: the effect of sodium and calcium ionsCarbohydrate Research 286, 151-159, 1996.
Does a backwardly read protein sequence have a unique native state?Protein Engineering 9, 5–14, 1996.
De novo simulations of the folding of GCN4 and its mutantsModeling of Biomolecular Structures and Mechanisms 8, 95–98, 1995.
Dynamics of star branched polymers in a matrix of linear chains—a Monte Carlo studyMacromolecular Theory and Simulations 3, 715–729, 1994.
De novo and inverse folding predictions of protein structure and dynamicsJournal of Computer-Aided Molecular Design 7, 397–438, 1993.
A detailed 1H and 13C NMR study of a repeating disaccharide of hyaluronan: the effects of temperature and counterion typeCarbohydrate Research 242, 29 - 51, 1993.