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All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins von MacKerell, A. D, Bashford, D, Bellott, M, Dunbrack, R. L, Evanseck, J. D, Field, M. J, Fischer, S, Gao, J, Guo, H, Ha, S, Joseph-McCarthy, D, Kuchnir, L, Kuczera, K, Lau, F. T. K, Mattos, C, Michnick, S, Ngo, T, Nguyen, D. T, Prodhom, B, Reiher, W. E, Roux, B, Schlenkrich, M, Smith, J. C, Stote, R, Straub, J, Watanabe, M, Wiórkiewicz-Kuczera, J, Yin, D, Karplus, M

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Solid state to solution: crystal structure and molecular dynamics simulations of a polyammonium nitrate host von Wiórkiewicz-Kuczera, Joanna, Kuczera, Krzysztof, Bazzicalupi, Carla, Bencini, Andrea, Valtancoli, Barbara, Bianchi, Antonio, Bowman-James, Kristin

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Molecular Dynamics Simulations of Nitrate Complexes with Polyammonium Macrocycles:  Insight on Phosphoryl Transfer Catalysis von Papoyan, Garegin, Gu, Kun-jian, Wiorkiewicz-Kuczera, Joanna, Kuczera, Krzysztof, Bowman-James, Kristin

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ChemInform Abstract: Anion Binding Receptors: Theoretical Studies von WIORKIEWICZ-KUCZERA, J., BOWMAN-JAMES, K.

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