Publications
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Docking of peptides to GPCRs using a combination of CABS-dock with FlexPepDock refinementBriefings in Bioinformatics , 2020.
DNA vaccine expressing the mimotope of GD2 ganglioside induces protective GD2 cross-reactive antibody responsesCancer Research 65, 3410–8, 2005.
De novo and inverse folding predictions of protein structure and dynamicsJournal of Computer-Aided Molecular Design 7, 397–438, 1993.
Distance matrix-based approach to protein structure predictionJournal of Structural and Functional Genomics 10, 67–81, 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.
Discretized model of proteins. I. Monte Carlo study of cooperativity in homopolypeptidesJournal of Chemical Physics 97, 9412–9426, 1992.
Dynamics and thermodynamics of beta-hairpin assembly: insights from various simulation techniquesBiophysical Journal 77, 2942–52, 1999.
Docking interactions determine early cleavage events in insulin proteolysis by pepsin: Experiment and simulationInternational Journal of Biological Macromolecules 149, 1151-1160, 2020.
Does reptation describe the dynamics of entangled, finite length polymer systems? A model simulationThe Journal of Chemical Physics 86, 1567–1585, 1987.
Determinants of secondary structure of polypeptide chains: Interplay between short range and burial interactionsJournal of Chemical Physics 107, 953–964, 1997.
Dynamic Monte Carlo study of the conformational properties of long flexible polymersMacromolecules 20, 687–689, 1987.
Dependence of protein mechanical unfolding pathways on pulling speedsThe Journal of Chemical Physics 130, 145102, 2009.
De novo simulations of the folding thermodynamics of the GCN4 leucine zipperBiophysical Journal 77, 54–69, 1999.
Does a backwardly read protein sequence have a unique native state?Protein Engineering 9, 5–14, 1996.
Distributions of amino acids suggest that certain residue types more effectively determine protein secondary structureJournal of Molecular Modeling 19, 4337-48, 2013.
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.
DFT Calculation of Nitrogen Chemical Shifts in the Active Site of Vitamin D ReceptorPolish Journal of Chemistry Vol. 80, no 7, 1171–1183, 2006.
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 effects of temperature and counterion typeCarbohydrate Research 242, 29 - 51, 1993.
Dynamics of star branched polymers in a matrix of linear chains—a Monte Carlo studyMacromolecular Theory and Simulations 3, 715–729, 1994.
Derivation of protein-specific pair potentials based on weak sequence fragment similarityProteins: Structure, Function, Bioinformatics 38, 3–16, 2000.
Derivation and testing of pair potentials for protein folding. When is the quasichemical approximation correct?Protein Science 6, 676–688, 1997.
De novo predictions of the quaternary structure of leucine zippers and other coiled coilsInternational Journal of Quantum Chemistry 75, 165–176, 1999.