Хайлтын үр дүнгүүд - Alexander D. MacKerell

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  1. 1
    Empirical force fields for biological macromolecules: Overview and issues

    Empirical force fields for biological macromolecules: Overview and issues -н Alexander D. MacKerell

    Хэвлэсэн 2004
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  2. 2
    Intrinsic Conformational Properties of Deoxyribonucleosides: Implicated Role for Cytosine in the Equilibrium Among the A, B, and Z Forms of DNA

    Intrinsic Conformational Properties of Deoxyribonucleosides: Implicated Role for Cytosine in the Equilibrium Among the A, B, and Z Forms of DNA -н Nicolas Foloppe, Alexander D. MacKerell

    Хэвлэсэн 1999
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  3. 3
    All‐atom polarizable force field for DNA based on the classical drude oscillator model

    All‐atom polarizable force field for DNA based on the classical drude oscillator model -н Alexey Savelyev, Alexander D. MacKerell

    Хэвлэсэн 2014
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  4. 4
    Differential Impact of the Monovalent Ions Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, and Rb<sup>+</sup> on DNA Conformational Properties

    Differential Impact of the Monovalent Ions Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, and Rb<sup>+</sup> on DNA Conformational Properties -н Alexey Savelyev, Alexander D. MacKerell

    Хэвлэсэн 2014
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  5. 5
    Influence of Solvent and Intramolecular Hydrogen Bonding on the Conformational Properties of O-Linked Glycopeptides

    Influence of Solvent and Intramolecular Hydrogen Bonding on the Conformational Properties of O-Linked Glycopeptides -н Sairam S. Mallajosyula, Alexander D. MacKerell

    Хэвлэсэн 2011
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  6. 6
    Computational Fragment-Based Binding Site Identification by Ligand Competitive Saturation

    Computational Fragment-Based Binding Site Identification by Ligand Competitive Saturation -н Olgun Guvench, Alexander D. MacKerell

    Хэвлэсэн 2009
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  7. 7
    Automated conformational energy fitting for force-field development

    Automated conformational energy fitting for force-field development -н Olgun Guvench, Alexander D. MacKerell

    Хэвлэсэн 2008
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  8. 8
    Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing

    Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing -н Kenno Vanommeslaeghe, Alexander D. MacKerell

    Хэвлэсэн 2012
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  9. 9
    Induction of Peptide Bond Dipoles Drives Cooperative Helix Formation in the (AAQAA)3 Peptide

    Induction of Peptide Bond Dipoles Drives Cooperative Helix Formation in the (AAQAA)3 Peptide -н Jing Huang, Alexander D. MacKerell

    Хэвлэсэн 2014
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  10. 10
    CHARMM additive and polarizable force fields for biophysics and computer-aided drug design

    CHARMM additive and polarizable force fields for biophysics and computer-aided drug design -н Kenno Vanommeslaeghe, Alexander D. MacKerell

    Хэвлэсэн 2014
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  11. 11
    Molecular dynamics simulations of nucleic acid–protein complexes

    Molecular dynamics simulations of nucleic acid–protein complexes -н Alexander D. MacKerell, Lennart Nilsson

    Хэвлэсэн 2008
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  12. 12
    CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data

    CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data -н Jing Huang, Alexander D. MacKerell

    Хэвлэсэн 2013
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  13. 13
    Conformational Sampling of Oligosaccharides Using Hamiltonian Replica Exchange with Two-Dimensional Dihedral Biasing Potentials and the Weighted Histogram Analysis Method (WHAM)

    Conformational Sampling of Oligosaccharides Using Hamiltonian Replica Exchange with Two-Dimensional Dihedral Biasing Potentials and the Weighted Histogram Analysis Method (WHAM) -н Mingjun Yang, Alexander D. MacKerell

    Хэвлэсэн 2015
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  14. 14
    Force field development and simulations of intrinsically disordered proteins

    Force field development and simulations of intrinsically disordered proteins -н Jing Huang, Alexander D. MacKerell

    Хэвлэсэн 2017
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  15. 15
    Role of the Adenine Ligand on the Stabilization of the Secondary and Tertiary Interactions in the Adenine Riboswitch

    Role of the Adenine Ligand on the Stabilization of the Secondary and Tertiary Interactions in the Adenine Riboswitch -н U. Deva Priyakumar, Alexander D. MacKerell

    Хэвлэсэн 2009
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  16. 16
    Development of the CHARMM Force Field for Lipids

    Development of the CHARMM Force Field for Lipids -н Richard W. Pastor, Alexander D. MacKerell

    Хэвлэсэн 2011
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  17. 17
    An Improved Empirical Potential Energy Function for Molecular Simulations of Phospholipids

    An Improved Empirical Potential Energy Function for Molecular Simulations of Phospholipids -н Scott E. Feller, Alexander D. MacKerell

    Хэвлэсэн 2000
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  18. 18
    Polarizable Force Field for DNA Based on the Classical Drude Oscillator: II. Microsecond Molecular Dynamics Simulations of Duplex DNA

    Polarizable Force Field for DNA Based on the Classical Drude Oscillator: II. Microsecond Molecular Dynamics Simulations of Duplex DNA -н Justin A. Lemkul, Alexander D. MacKerell

    Хэвлэсэн 2017
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  19. 19
    Polarizable Force Field for DNA Based on the Classical Drude Oscillator: I. Refinement Using Quantum Mechanical Base Stacking and Conformational Energetics

    Polarizable Force Field for DNA Based on the Classical Drude Oscillator: I. Refinement Using Quantum Mechanical Base Stacking and Conformational Energetics -н Justin A. Lemkul, Alexander D. MacKerell

    Хэвлэсэн 2017
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  20. 20
    Polarizable force field for RNA based on the classical drude oscillator

    Polarizable force field for RNA based on the classical drude oscillator -н Justin A. Lemkul, Alexander D. MacKerell

    Хэвлэсэн 2018
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