[Evaluation of the Accuracy of Calculation of the Standard Binding Entropy of Molecules from their Average Mobility in Molecular Crystals].

Garbuzynskiy, S O; Finkelstein, A V

Garbuzynskiy, S O; Finkelstein, A V.

Affiliation

Garbuzynskiy SO; Institute of Protein Research, Russian Academy of Sciences, Pushchino, Moscow oblast, 142290 Russia.
Finkelstein AV; Institute of Protein Research, Russian Academy of Sciences, Pushchino, Moscow oblast, 142290 Russia.

Mol Biol (Mosk) ; 52(1): 125-135, 2018.

Article in Ru | MEDLINE | ID: mdl-29512645

Subject(s)

Entropy; Molecular Dynamics Simulation

Key words

amplitude of molecular movements in a crystal; binding entropy; computational chemistry and biochemistry; molecular crystals; standard sublimation entropy; sublimation enthalpy

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Entropy / Molecular Dynamics Simulation Language: Ru Journal: Mol Biol (Mosk) Year: 2018 Type: Article

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