Proton solvation in protic and aprotic solvents von Rossini, Emanuele, Knapp, Ernst-Walter

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Multivalency as a Chemical Organization and Action Principle von Fasting, Carlo, Schalley, Christoph A., Weber, Marcus, Seitz, Oliver, Hecht, Stefan, Koksch, Beate, Dernedde, Jens, Graf, Christina, Knapp, Ernst-Walter, Haag, Rainer

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Computing pKA values of hexa-aqua transition metal complexes von Galstyan, Gegham, Knapp, Ernst-Walter

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Optimizing pKA computation in proteins with pH adapted conformations von Kieseritzky, Gernot, Knapp, Ernst-Walter

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Accurate redox potentials of mononuclear iron, manganese, and nickel model complexes von Galstyan, Artur, Knapp, Ernst-Walter

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Prediction using step-wise L1, L2 regularization and feature selection for small data sets with large number of features von Demir-Kavuk, Ozgur, Kamada, Mayumi, Akutsu, Tatsuya, Knapp, Ernst-Walter

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Computing pKa Values in Different Solvents by Electrostatic Transformation von Rossini, Emanuele, Netz, Roland R, Knapp, Ernst-Walter

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Structural and Vibrational Characterization of the Chromophore Binding Site of Bacterial Phytochrome Agp1 von Takiden, Aref, Velazquez‐Escobar, Francisco, Dragelj, Jovan, Woelke, Anna Lena, Knapp, Ernst‐Walter, Piwowarski, Patrick, Bart, Franz, Hildebrandt, Peter, Mroginski, Maria Andrea

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Merging Structural Information from X‑ray Crystallography, Quantum Chemistry, and EXAFS Spectra: The Oxygen-Evolving Complex in PSII von Chernev, Petko, Zaharieva, Ivelina, Rossini, Emanuele, Galstyan, Artur, Dau, Holger, Knapp, Ernst-Walter

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α-Helices direct excitation energy flow in the Fenna-Matthews-Olson protein von Müh, Frank, Madjet, Mohamed El-Amine, Adolphs, Julia, Abdurahman, Ayjamal, Rabenstein, Björn, Ishikita, Hiroshi, Knapp, Ernst-Walter, Renger, Thomas

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Empirical Conversion of pKa Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and Methanol von Rossini, Emanuele, Bochevarov, Art D., Knapp, Ernst Walter

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pKA in proteins solving the Poisson-Boltzmann equation with finite elements von Sakalli, Ilkay, Knapp, Ernst-Walter

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Energetics of a Possible Proton Exit Pathway for Water Oxidation in Photosystem II von Ishikita, Hiroshi, Saenger, Wolfram, Loll, Bernhard, Biesiadka, Jacek, Knapp, Ernst-Walter

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Control of Quinone Redox Potentials in Photosystem II:  Electron Transfer and Photoprotection von Ishikita, Hiroshi, Knapp, Ernst-Walter

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Accurate pKa Determination for a Heterogeneous Group of Organic Molecules von Schmidt am Busch, Marcel, Knapp, Ernst-Walter

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Optimized distance-dependent atom-pair-based potential DOOP for protein structure prediction von Chae, Myong-Ho, Krull, Florian, Knapp, Ernst-Walter

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Database of protein complexes with multivalent binding ability: Bival-bind von Meyer, Tim, Knapp, Ernst-Walter

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Influence of Heterogeneity on the Ultrafast Photoisomerization Dynamics of Pfr in Cph1 Phytochrome von Stensitzki, Till, Yang, Yang, Wölke, Anna Lena, Knapp, Ernst‐Walter, Hughes, Jon, Mroginski, Maria Andrea, Heyne, Karsten

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Novel protein folds and their nonsequential structural analogs von Guerler, Aysam, Knapp, Ernst‐Walter

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How Photosynthetic Reaction Centers Control Oxidation Power in Chlorophyll Pairs P680, P700, and P870 von Ishikita, Hiroshi, Saenger, Wolfram, Biesiadka, Jacek, Loll, Bernhard, Knapp, Ernst-Walter

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