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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.
Slipknotting upon native-like loop formation in a trefoil knot protein.Proceedings of the National Academy of Sciences of the United States of America 107, 15403-8, 2010.
Selection of optimal variants of Gō-like models of proteins through studies of stretching.Biophys J 95, 3174-91, 2008.
Monte Carlo simulations of protein folding. I. Lattice model and interaction schemeProteins 18, 338-52, 1994.
Model of three-dimensional structure of VDR bound with Vitamin D3 analogs substituted at carbon-2The Journal of Steroid Biochemistry and Molecular Biology 89-90, 107-10, 2004.
Mechanical strength of 17,134 model proteins and cysteine slipknots.PLoS Comput Biol 5, e1000547, 2009.
Energy landscape of knotted protein folding.Proceedings of the National Academy of Sciences of the United States of America 109, 17783-8, 2012.
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.
Computational analysis of the active sites in binary and ternary complexes of the vitamin D receptorThe Journal of Steroid Biochemistry and Molecular Biology 103, 305-9, 2007.
Clustering as a supporting tool for structural drug designActa Poloniae Pharmaceutica. Drug Research 63, 436-8, 2006.
2-Methylene analogs of 1alpha-hydroxy-19-norvitamin D3: synthesis, biological activities and docking to the ligand binding domain of the rat vitamin D receptorThe Journal of Steroid Biochemistry and Molecular Biology 89-90, 13-7, 2004.
2-Ethyl and 2-ethylidene analogues of 1alpha,25-dihydroxy-19-norvitamin D(3): synthesis, conformational analysis, biological activities, and docking to the modeled rVDR ligand binding domain.Journal of Medicinal Chemistry 45, 3366-80, 2002.
13,13-Dimethyl-des-C,D analogues of (20S)-1α,25-dihydroxy-2-methylene-19-norvitamin D₃ (2MD): total synthesis, docking to the VDR, and biological evaluationBioorganic & Medicinal Chemistry 19, 7205-20, 2011.