Publications
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Author Title Type [ Year] Filters: Keyword is Magnetic Resonance Spectroscopy [Clear All Filters]
CABS-NMR–De novo tool for rapid global fold determination from chemical shifts, residual dipolar couplings and sparse methyl-methyl NOEsJournal of c\Computational Chemistry 32, 536–44, 2011.
Protein structure prediction: combining de novo modeling with sparse experimental dataJournal of Computational Chemistry 28, 1668–76, 2007.
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.
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.
Are proteins ideal mixtures of amino acids? Analysis of energy parameter setsProtein Science: a Publication of the Protein Society 4, 2107–2117, 1995.