Structure of a monomeric photosystem II core complex from a cyanobacterium acclimated to far-red light reveals the functions of chlorophylls d and f von Gisriel, Christopher J., Shen, Gaozhong, Ho, Ming-Yang, Kurashov, Vasily, Flesher, David A., Wang, Jimin, Armstrong, William H., Golbeck, John H., Gunner, Marilyn R., Vinyard, David J., Debus, Richard J., Brudvig, Gary W., Bryant, Donald A.

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Tracing the Pathways of Waters and Protons in Photosystem II and Cytochrome c Oxidase von Kaur, Divya, Cai, Xiuhong, Khaniya, Umesh, Zhang, Yingying, Mao, Junjun, Mandal, Manoj, Gunner, Marilyn

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Combining Conformational Flexibility and Continuum Electrostatics for Calculating pKas in Proteins von Georgescu, Roxana E., Alexov, Emil G., Gunner, Marilyn R.

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Inhomogenous broadening of antenna protein chlorophyll site energies due to side chain conformational and protonation states determined by Monte Carlo microstate analysis von Ranepura, Gehan A., Raber-Smoot, Bailey, Elrefaiy, Mohamed, Mao, Junjun, Gunner, Marilyn R., Raccah, Doran I.G.B.

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Influence of Hydrocarbon Tail Structure on Quinone Binding and Electron-Transfer Performance at the QA and QB Sites of the Photosynthetic Reaction Center Protein von Warncke, Kurt, Gunner, Marilyn R, Braun, Barry S, Gu, Lianquan, Yu, Chang-An, Bruce, J. Malcolm, Dutton, P. Leslie

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Continuum Electrostatics Approaches to Calculating pKas and Ems in Proteins von Gunner, M R, Baker, N A

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Combining conformational flexibility and continuum electrostatics for calculating pK(a)s in proteins von Georgescu, Roxana E, Alexov, Emil G, Gunner, Marilyn R

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Backbone Dipoles Generate Positive Potentials in all Proteins: Origins and Implications of the Effect von Gunner, M.R., Saleh, Mohammad A., Cross, Elizabeth, ud-Doula, Asif, Wise, Michael

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Combining Conformational Flexibility and Continuum Electrostatics for Calculating pK as in Proteins von Georgescu, Roxana E., Alexov, Emil G., Gunner, Marilyn R.

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Continuum Electrostatics Approaches to Calculating p$K_a$s and $E_m$s in Proteins von Gunner, Marilyn R, Baker, Nathan A

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Computing the relative affinity of chlorophylls a and b to light-harvesting complex II von Ranepura, Gehan A., Mao, Junjun, Vermaas, Josh V., Wang, Jimin, Gisriel, Christopher J., Wei, Rongmei, Ortiz-Soto, Jose, Uddin, Md. Raihan, Amin, Muhamed, Brudvig, Gary W., Gunner, Marilyn R.

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Continuum Electrostatics Approaches to Calculating p\(K_a\)s and \(E_m\)s in Proteins von Gunner, Marilyn R, Baker, Nathan A

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Radical-pair energetics and decay mechanisms in reaction centers containing anthraquinones, naphthoquinones or benzoquinones in place of ubiquinone von Woodbury, Neal W., Parson, William W., Gunner, Marilyn R., Prince, Roger C., Dutton, P.Leslie

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pH dependence of heme electrochemistry in cytochromes investigated by multiconformation continuum electrostatic calculations von Hauser, Karin

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L-2-hydroxyglutarate production arises from non-canonical enzyme function at acidic pH: Docking and MCCE2 calculation data set von Intlekofer, Andrew M., Wang, Bo, Liu, Hui, Shah, Hardik, Carmona-Fontaine, Carlos, Rustenburg, Arien S., Salah, Salah, Gunner, Marilyn R., Chodera, John D., R. Cross, Justin, Thompson, Craig B.

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