Małgorzata Groth
University of Gdańsk
16 Papers
268 Citations
Małgorzata Groth is an academic researcher from University of Gdańsk. The author has contributed to research in topics: Nuclear magnetic resonance spectroscopy & Monte Carlo method. The author has an hindex of 8, co-authored 16 publications.
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Papers
United-residue force field for off-lattice protein-structure simulations: III. Origin of backbone hydrogen-bonding cooperativity in united-residue potentials
Adam Liwo,Adam Liwo,Adam Liwo,R. Kazmierkiewicz,Cezary Czaplewski,Małgorzata Groth,Stanisław Ołdziej,Ryszard J. Wawak,S. Rackovsky,Matthew R. Pincus,Harold A. Scheraga +10 more
TL;DR: Based on the dipole model of peptide groups developed in this paper, a cumulant expansion of the average free energy of the system of freely rotating peptide-group dipoles tethered to a fixed α-carbon trace is derived.
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Maximum entropy approach to the determination of solution conformation of flexible polypeptides by global conformational analysis and NMR spectroscopy--application to DNS1-c-[D-A2,bu2,Trp4,Leu5]enkephalin and DNS1-c-[D-A2bu2,Trp4,D-Leu5]enkephalin.
Małgorzata Groth,Joanna Malicka,Cezary Czaplewski,S. Oldziej,Leszek Lankiewicz,Wiesław Wiczk,Adam Liwo +6 more
TL;DR: A method to determine the conformational equilibrium of flexible polypeptides in solution, using the data provided by NMR spectroscopy and theoretical conformational calculations, found that direct (MD) or Boltzmann (EDMC) averages of the observables do not exactly conform with the measured values, even when explicit solvent molecules are included.
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An Efficient Deformation-Based Global Optimization Method for Off-Lattice Polymer Chains: Self-Consistent Basin-to-Deformed-Basin Mapping (SCBDBM). Application to United-Residue Polypeptide Chains
TL;DR: A new method to surmount the multiple-minima problem in protein folding is proposed to locate a group of large basins containing low-energy minima.
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The Eve effect in the Penna model of biological ageing
TL;DR: In this article, the authors quantified the process of extinction of family diversity in Penna asexual model and showed that the fluctuations of the volume of the total population scales as 1/f noise.
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Determination of conformational equilibrium of peptides in solution by NMR spectroscopy and theoretical conformational analysis: application to the calibration of mean-field solvation models.
Małgorzata Groth,Joanna Malicka,Rodziewicz Motowidło S,Cezary Czaplewski,L. Klaudel,Wiesław Wiczk,Adam Liwo +6 more
TL;DR: This work proposes an alternative method based on the principle that the best-fitting statistical weights of conformations should match the Boltzmann weights computed with the force field applied, in which the energy gap between the conformations compatible with NMR data and the alternative conformations is maximized.
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