Free-energy analysis of the electron-density fluctuation in the quantum-mechanical/molecular-mechanical simulation combined with the theory of energy representation

2012 ◽  
Vol 136 (4) ◽  
pp. 044505 ◽  
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Nobuyuki Matubayasi ◽  
Hideaki Takahashi
Keyword(s):  
Free Energy ◽  
Electron Density ◽  
Density Fluctuation ◽  
Energy Analysis ◽  
Quantum Mechanical ◽  
Mechanical Simulation ◽  
Electron Density Fluctuation ◽  
Free Energy Analysis

scholarly journals A free energy analysis by unfolding applied to 125-mers on a cubic lattice

1998 ◽  
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Author(s):  
Myung S Chung ◽  
Andrew F Neuwald ◽  
W John Wilbur
Keyword(s):  
Free Energy ◽  
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Cubic Lattice ◽  
Free Energy Analysis

Surface free energy analysis of adsorbents used for radioiodine adsorption

2013 ◽  
Vol 282 ◽  
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C.M. González-García ◽  
S. Román ◽  
J.F. González ◽  
E. Sabio ◽  
B. Ledesma
Keyword(s):  
Free Energy ◽  
Surface Free Energy ◽  
Energy Analysis ◽  
Free Energy Analysis

Molecular dynamics simulations and binding free energy analysis of DNA minor groove complexes of curcumin

2011 ◽  
Vol 17 (11) ◽  
pp. 2805-2816 ◽  
Author(s):  
Mathew Varghese Koonammackal ◽  
Unnikrishnan Viswambharan Nair Nellipparambil ◽  
Chellappanpillai Sudarsanakumar
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Molecular Dynamics Simulations ◽  
Energy Analysis ◽  
Binding Free Energy ◽  
Minor Groove ◽  
Dna Minor Groove ◽  
Dynamics Simulations ◽  
Free Energy Analysis

scholarly journals COMP-17. BINDING FREE ENERGY ANALYSIS OF PROGRAMMED CELL DEATH PROTEIN PD1 TO ITS LIGAND PD-L1

2018 ◽  
Vol 20 (suppl_6) ◽  
pp. vi67-vi67
Author(s):  
Peter Pan ◽  
Alireza Tafazzol ◽  
Xianwei Zhang ◽  
Yong Duan
Keyword(s):  
Cell Death ◽  
Free Energy ◽  
Programmed Cell Death ◽  
Energy Analysis ◽  
Binding Free Energy ◽  
Free Energy Analysis ◽  
Cell Death Protein
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