Search Results - Wiorkiewicz-Kuczera, Joanna

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  1. 1
    An all-atom empirical energy function for the simulation of nucleic acids

    An all-atom empirical energy function for the simulation of nucleic acids by MacKerell, Alexander D, Wiorkiewicz-Kuczera, Joanna, Karplus, Martin

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  2. 2
    Ab initio study of the vibrational spectra of N9-H and N7-H adenine and 9-methyladenine

    Ab initio study of the vibrational spectra of N9-H and N7-H adenine and 9-methyladenine by Wiorkiewicz-Kuczera, Joanna, Karplus, Martin

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  3. 3
    Molecular Dynamics Simulations of Nitrate Complexes with Polyammonium Macrocycles:  Insight on Phosphoryl Transfer Catalysis

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

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  4. 4
    Molecular dynamics simulations of disulfide cross-linked DNA decamers

    Molecular dynamics simulations of disulfide cross-linked DNA decamers by Ferentz, Ann E, Wiorkiewicz-Kuczera, Joanna, Karplus, Martin, Verdine, Gregory L

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  5. 5
    Solid state to solution: crystal structure and molecular dynamics simulations of a polyammonium nitrate host

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

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  6. 6
    Conformational analysis of the deoxyribofuranose ring: a theoretical study

    Conformational analysis of the deoxyribofuranose ring: a theoretical study by WIORKIEWICZ-KUCZERA, J, RABCZENKO, A

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  7. 7
    Pseudorotation of the ribofuranose ring. A theoretical study and a comparison with nuclear magnetic resonance results

    Pseudorotation of the ribofuranose ring. A theoretical study and a comparison with nuclear magnetic resonance results by WIORKIEWICZ-KUCZERA, J, RABCZENKO, A

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  8. 8
    Calculation of average values for CC bond lengths and CCC bond angles. PCILO conformational study of n-butane with the newly found and other molecular geometries

    Calculation of average values for CC bond lengths and CCC bond angles. PCILO conformational study of n-butane with the newly found and other molecular geometries by Wiórkiewicz-Kuczera, Joanna, Rabczenko, Andrzej

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