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Marilyn R. Gunner

Researcher at City College of New York

Publications -  107
Citations -  7237

Marilyn R. Gunner is an academic researcher from City College of New York. The author has contributed to research in topics: Electron transfer & Protonation. The author has an hindex of 40, co-authored 102 publications receiving 6561 citations. Previous affiliations of Marilyn R. Gunner include Columbia University & City University of New York.

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On the calculation of pKas in proteins

TL;DR: This paper describes a general method to calculate the pKas of ionizable groups in proteins using the finite difference Poisson–Boltzmann (FDPB) method and introduces a hybrid statistical mechanical/Tanford–Roxby method, which is found to be significantly faster than previous treatments.
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Combining Conformational Flexibility and Continuum Electrostatics for Calculating pKas in Proteins

TL;DR: Multiconformation continuum electrostatics titrations show coupling of conformational flexibility and changes in ionization state and results are found with crystal and solution structures, showing that the method's explicit conformational sampling reduces sensitivity to the initial structure.
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Incorporating protein conformational flexibility into the calculation of pH-dependent protein properties

TL;DR: Multiconformation pH titration gives better agreement with the experimental pKa's for triclinic hen egg lysozyme than conventional rigid protein calculations, making it sensitive to the composition of the local protein structure.
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Temperature and -.DELTA.G.degree. dependence of the electron transfer from BPh.cntdot.- to QA in reaction center protein from Rhodobacter sphaeroides with different quinones as QA

TL;DR: In this paper, the rate of electron transfer from BPh{sup {sm bullet}{minus} to Q{sub A} (k{sub 1}) was determined at 14, 35, 113, and 298 K in reaction center protein from Rhodobacter sphaeroides R-26 in which the native quinone was removed and activity reconstituted with 22 other quinones.