Publications
Export 11 results:
Author Title Type [ Year] Filters: Keyword is Hydrogen Bonding [Clear All Filters]
Computational study of binding of epothilone A to β-tubulinActa Biochimica Polonica 58, 255–60, 2011.
Protein modeling and structure prediction with a reduced representationActa Biochimica Polonica 51, 349–71, 2004.
Protein fragment reconstruction using various modeling techniquesJournal of Computer-Aided Molecular Design 17, 725–38, 2003.
Solvent polarity and hydrogen-bonding effects on the nitrogen NMR shieldings of N-nitrosamines and DFT calculations of the shieldings of C-, N-, and O-nitroso systemsJournal of Magnetic Resonance 164, 212-9, 2003.
Computer simulations of protein folding with a small number of distance restraintsActa Biochimica Polonica 49, 683–692, 2002.
A study of solvent polarity and hydrogen bonding effects on the nitrogen NMR shieldings of N-nitramines and ab initio calculations of the nitrogen shieldings of C-nitro, N-nitro and O-nitro systemsJournal of Molecular Structure 602–603, 199 - 207, 2002.
Solvent and protonation effects on nitrogen NMR shieldings of isoamides (α-aminoethers)Journal of Molecular Structure 404, 267 - 271, 1997.
Prediction of quaternary structure of coiled coils. Application to mutants of the GCN4 leucine zipperJournal of Molecular Biology 251, 448–67, 1995.
Monte Carlo simulations of protein folding. I. Lattice model and interaction schemeProteins 18, 338-52, 1994.