To the fast calculation of the solvation free energy. Combining expanded ensembles with L2MC

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Vol 42 (11) ◽  
pp. 787-792
Author(s):  
Alexei Nikitin ◽  
Vladislava Milchevskaya ◽  
Alexander Lyubartsev
Keyword(s):  
Free Energy ◽  
Solvation Free Energy ◽  
Fast Calculation

scholarly journals Application of reference-modified density functional theory: Temperature and pressure dependences of solvation free energy

2017 ◽  
Vol 39 (4) ◽  
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Yutaka Maruyama ◽  
Ayori Mitsutake ◽  
Kenji Mochizuki ◽  
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Keyword(s):  
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Density Functional ◽  
Solvation Free Energy ◽  
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scholarly journals 1J1015 Web application for fast solvation free energy calculation using PC cluster

2002 ◽  
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M. Masuya
Keyword(s):  
Free Energy ◽  
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Solvation Free Energy ◽  
Free Energy Calculation ◽  
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Solvation free energy of the proton in acetonitrile

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Vol 335 ◽  
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Keyword(s):  
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scholarly journals End-point calculation of solvation free energy of amino-acid analogs by molecular theories of solution

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Vol 496 (4-6) ◽  
pp. 351-355 ◽  
Author(s):  
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Keyword(s):  
Free Energy ◽  
Amino Acid ◽  
Solvation Free Energy ◽  
End Point ◽  
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