Recent advances in QM/MM free energy calculations using reference potentials von Duarte, Fernanda, Amrein, Beat A., Blaha-Nelson, David, Kamerlin, Shina C.L.

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Expanding the Catalytic Triad in Epoxide Hydrolases and Related Enzymes von Amrein, Beat A, Bauer, Paul, Duarte, Fernanda, Janfalk Carlsson, Åsa, Naworyta, Agata, Mowbray, Sherry L, Widersten, Mikael, Kamerlin, Shina C. L

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Conformational diversity and enantioconvergence in potato epoxide hydrolase 1 von Bauer, P, Carlsson, Å. Janfalk, Amrein, B. A, Dobritzsch, D, Widersten, M, Kamerlin, S. C. L

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Conformational Diversity and Enantioconvergence in Potato Epoxide Hydrolase 1 von Bauer, Paul, Janfalk Carlsson, Åsa, Amrein, Beat A, Dobritzsch, Doreen, Widersten, Mikael, Kamerlin, S. C. Lynn

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Expanding the catalytic triad in epoxide hydrolases and related enzymes von Amrein, Beat A, Bauer, Paul, Duarte, Fernanda, Janfalk Carlsson, Åsa, Naworyta, Agata, Mowbray, Sherry L, Widersten, Mikael, Kamerlin, Shina C. L

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Recent advances in QM/MM free energy calculations using reference potentials von Duarte, Fernanda, Amrein, Beat A, Blaha-Nelson, David, Kamerlin, Shina Caroline Lynn

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Force Field Independent Metal Parameters Using a Nonbonded Dummy Model von Duarte, Fernanda, Bauer, Paul, Barrozo, Alexandre, Amrein, Beat Anton, Purg, Miha, Åqvist, Johan, Kamerlin, Shina Caroline Lynn

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In Silico-Directed Evolution Using CADEE von Amrein, Beat Anton, Runthala, Ashish, Kamerlin, Shina Caroline Lynn

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CADEE : Computer-Aided Directed Evolution of Enzymes von Amrein, Beat Anton, Steffen-Munsberg, Fabian, Szeler, Ireneusz, Purg, Miha, Kulkarni, Yashraj, Kamerlin, Shina Caroline Lynn

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Modeling catalytic promiscuity in the alkaline phosphatase superfamily von Duarte, Fernanda, Amrein, Beat Anton, Kamerlin, Shina Caroline Lynn

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Q6: A comprehensive toolkit for empirical valence bond and related free energy calculations von Bauer, Paul, Barrozo, Alexandre, Purg, Miha, Amrein, Beat Anton, Esguerra, Mauricio, Wilson, Philippe Barrie, Major, Dan Thomas, Åqvist, Johan, Kamerlin, Shina Caroline Lynn

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PEGylation of lysine residues reduces the pro-migratory activity of IGF-I von Sivaramakrishnan, Manaswini, Kashyap, Abhishek S., Amrein, Beat, Saenger, Stefanie, Meier, Sonja, Staudenmaier, Christian, Upton, Zee, Metzger, Friedrich

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Identification of two-histidines one-carboxylate binding motifs in proteins amenable to facial coordination to metals von Amrein, Beat, Schmid, Maurus, Collet, Guillaume, Cuniasse, Philippe, Gilardoni, François, Seebeck, Florian P, Ward, Thomas R

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Extending the Reach of Computational Approaches to Model Enzyme Catalysis von Amrein, Beat Anton

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Extending the Reach of Computational Approaches to Model Enzyme Catalysis von Amrein, Beat Anton

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Identification of two-histidines one-carboxylate binding motifs in proteins amenable to facial coordination to metalsElectronic supplementary information (ESI) available: OpenStruc... von Amrein, Beat, Schmid, Maurus, Collet, Guillaume, Cuniasse, Philippe, Gilardoni, Franois, Seebeck, Florian P, Ward, Thomas R

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CADEE : Computer-Aided Directed Evolution of Enzymes von Amrein, Beat Anton, Steffen-Munsberg, Fabian, Szeler, Ireneusz, Purg, Miha, Kulkarni, Yashraj, Kamerlin, Shina Caroline Lynn

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Modeling catalytic promiscuity in the alkaline phosphatase superfamily von Duarte, Fernanda, Amrein, Beat Anton, Kamerlin, Lynn

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Q6 : A comprehensive toolkit for empirical valence bond and related free energy calculations von Bauer, Paul, Barrozo, Alexandre, Purg, Miha, Amrein, Beat Anton, Esguerra, Mauricio, Wilson, Philippe Barrie, Major, Dan Thomas, Åqvist, Johan, Kamerlin, Shina C. Lynn

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In Silico-Directed Evolution Using CADEE von Amrein, Beat Anton, Runthala, Ashish, Kamerlin, Shina C. Lynn

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