Anna Roitberg

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The harmonic approximation for the potential energy of proteins is known to be inadequate for the calculation of many protein properties. To study the effect of anharmonic terms on protein vibrations, the anharmonic wave functions for the ground state and low-lying excited states of the bovine pancreatic trypsin inhibitor (BPTI) were calculated. The results(More)
Raman and Fourier transform-infra red (FT-IR) spectroscopies of fluorescein in aqueous solutions have been investigated in the pH range from 9.1 to 5.4. At pH 9.1 fluorescein is in the dianion form. At pH 5.4, fluorescein is a mixture of monoanion (approximately 85%), dianion and neutral forms (together approximately 15%). The fluorescence quantum yield(More)
This paper presents a quantitative and qualitative error analysis of Russian anaphora resolvers which participated in the RU-EVAL event. Its aim is to identify and characterize a set of challenging errors common to stateof-the-art systems dealing with Russian. We examined three types of pronouns: 3rd person pronouns, reflexive and relative pronouns. The(More)
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