| 1 |
Resolving the Ligand-Binding Specificity in c-MYC G-Quadruplex DNA: Absolute Binding Free Energy Calculations and SPR Experiment
Deng NJ, Wickstrom L, Cieplak P, Lin C, Yang DZ
Journal of Physical Chemistry B, 121(46), 10484, 2017 |
| 2 |
Development of Polarizable Models for Molecular Mechanical Calculations. 4. van der Waals Parametrization
Wang JM, Cieplak P, Li J, Cai Q, Hsieh MJ, Luo R, Duan Y
Journal of Physical Chemistry B, 116(24), 7088, 2012 |
| 3 |
Development of Polarizable Models for Molecular Mechanical Calculations. 3. Polarizable Water Models Conforming to Thole Polarization Screening Schemes
Wang J, Cieplak P, Cai Q, Hsieh MJ, Wang JM, Duan Y, Luo R
Journal of Physical Chemistry B, 116(28), 7999, 2012 |
| 4 |
Development of Polarizable Models for Molecular Mechanical Calculations I: Parameterization of Atomic Polarizability
Wang JM, Cieplak P, Li J, Hou TJ, Luo R, Duan Y
Journal of Physical Chemistry B, 115(12), 3091, 2011 |
| 5 |
Development of Polarizable Models for Molecular Mechanical Calculations II: Induced Dipole Models Significantly Improve Accuracy of Intermolecular Interaction Energies
Wang JM, Cieplak P, Li J, Wang J, Cai Q, Hsieh MJ, Lei HX, Luo R, Duan Y
Journal of Physical Chemistry B, 115(12), 3100, 2011 |
| 6 |
Elucidating the Energetics of Entropically Driven Protein-Ligand Association: Calculations of Absolute Binding Free Energy and Entropy
Deng NJ, Zhang P, Cieplak P, Lai LH
Journal of Physical Chemistry B, 115(41), 11902, 2011 |
| 7 |
New-generation amber united-atom force field
Yang LJ, Tan CH, Hsieh MJ, Wang JM, Duan Y, Cieplak P, Caldwell J, Kollman PA, Luo R
Journal of Physical Chemistry B, 110(26), 13166, 2006 |
| 8 |
Theoretical study of the free-radical copolymerization of styrene with methyl methacrylate: Comparative study to the styrene-acrylonitrile monomer system
Cieplak P, Kaim A
Journal of Polymer Science Part A: Polymer Chemistry, 42(7), 1557, 2004 |
| 9 |
Further evidence for the inseparability of the theoretical enthalpic terminal and penultimate unit effects in the radical copolymerization of styrene with acrylonitrile
Kaim A, Cieplak P
Journal of Polymer Science Part A: Polymer Chemistry, 41(12), 1778, 2003 |
| 10 |
Penultimate unit effects in the free-radical copolymerization of styrene with acrylonitrile according to theoretical thermochemistry
Cieplak P, Megiel E, Kaim A
Journal of Polymer Science Part A: Polymer Chemistry, 40(21), 3592, 2002 |
