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Alexander D Mackerell

Showing results (51-60 of 402) with videos related to

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Journal of Chemical Theory and Computation|January 23, 2018
Polarizable Empirical Force Field for Halogen-Containing Compounds Based on the Classical Drude OscillatorFang-Yu Lin, Alexander D MacKerell
Plos One|May 14, 2009
Characterizing structural transitions using localized free energy landscape analysisNilesh K Banavali, Alexander D Mackerell
Journal of Molecular Biology|June 8, 2002
Free energy and structural pathways of base flipping in a DNA GCGC containing sequenceNilesh K Banavali, Alexander D MacKerell
Journal of the American Chemical Society|January 17, 2012
Intrinsic contribution of the 2'-hydroxyl to RNA conformational heterogeneityElizabeth J Denning, Alexander D MacKerell
Journal of Chemical Theory and Computation|December 3, 2015
Base Flipping in a GCGC Containing DNA Dodecamer:  A Comparative Study of the Performance of the Nucleic Acid Force Fields, CHARMM, AMBER, and BMSU Deva Priyakumar, Alexander D MacKerell
Journal of Computational Chemistry|September 14, 2019
Improved Modeling of Cation-π and Anion-Ring Interactions Using the Drude Polarizable Empirical Force Field for ProteinsFang-Yu Lin, Alexander D MacKerell
The Journal of Physical Chemistry. B|January 17, 2008
Atomic detail investigation of the structure and dynamics of DNA.RNA hybrids: a molecular dynamics studyU Deva Priyakumar, Alexander D Mackerell
ACS Omega|June 12, 2023
Influence of Mg<sup>2+</sup> Distribution on the Stability of Folded States of the Twister Ribozyme Revealed Using Grand Canonical Monte Carlo and Generative Deep Learning Enhanced SamplingMert Y Sengul, Alexander D MacKerell
Journal of the American Chemical Society|March 6, 2003
2D conformationally sampled pharmacophore: a ligand-based pharmacophore to differentiate delta opioid agonists from antagonistsDenzil Bernard, Andrew Coop, Alexander D MacKerell
Journal of Medicinal Chemistry|March 21, 2007
Quantitative conformationally sampled pharmacophore for delta opioid ligands: reevaluation of hydrophobic moieties essential for biological activityDenzil Bernard, Andrew Coop, Alexander D MacKerell
Pageof 41

Showing results (51-60 of 402) with videos related to

Sort By:
Pageof 41
Journal of Chemical Theory and Computation|January 23, 2018
Polarizable Empirical Force Field for Halogen-Containing Compounds Based on the Classical Drude OscillatorFang-Yu Lin, Alexander D MacKerell
Plos One|May 14, 2009
Characterizing structural transitions using localized free energy landscape analysisNilesh K Banavali, Alexander D Mackerell
Journal of Molecular Biology|June 8, 2002
Free energy and structural pathways of base flipping in a DNA GCGC containing sequenceNilesh K Banavali, Alexander D MacKerell
Journal of the American Chemical Society|January 17, 2012
Intrinsic contribution of the 2'-hydroxyl to RNA conformational heterogeneityElizabeth J Denning, Alexander D MacKerell
Journal of Chemical Theory and Computation|December 3, 2015
Base Flipping in a GCGC Containing DNA Dodecamer:  A Comparative Study of the Performance of the Nucleic Acid Force Fields, CHARMM, AMBER, and BMSU Deva Priyakumar, Alexander D MacKerell
Journal of Computational Chemistry|September 14, 2019
Improved Modeling of Cation-π and Anion-Ring Interactions Using the Drude Polarizable Empirical Force Field for ProteinsFang-Yu Lin, Alexander D MacKerell
The Journal of Physical Chemistry. B|January 17, 2008
Atomic detail investigation of the structure and dynamics of DNA.RNA hybrids: a molecular dynamics studyU Deva Priyakumar, Alexander D Mackerell
ACS Omega|June 12, 2023
Influence of Mg<sup>2+</sup> Distribution on the Stability of Folded States of the Twister Ribozyme Revealed Using Grand Canonical Monte Carlo and Generative Deep Learning Enhanced SamplingMert Y Sengul, Alexander D MacKerell
Journal of the American Chemical Society|March 6, 2003
2D conformationally sampled pharmacophore: a ligand-based pharmacophore to differentiate delta opioid agonists from antagonistsDenzil Bernard, Andrew Coop, Alexander D MacKerell
Journal of Medicinal Chemistry|March 21, 2007
Quantitative conformationally sampled pharmacophore for delta opioid ligands: reevaluation of hydrophobic moieties essential for biological activityDenzil Bernard, Andrew Coop, Alexander D MacKerell
Pageof 41