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About the Cover: The thermodynamic role of the conformational changes upon biomolecular interactions is shown to be exactly quantified using a distance measure from information theory, Kullback–Leibler (KL) divergence between the distributions of the conformations in the initial and final states. The mathematical property of KL divergence provides proof that the energetic contributions from the conformational changes are positive, i.e. dissipative. Moreover, the theory provides the possibility to decompose these energetic contributions into contributions from the different parts of the system. See Ahmad, M.; Helms, V.; Lengauer, T.; Kalinina, O. V. J. Chem. Theory Comput. 2015, 11, 2945–2957.
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| current | 06:52, 9 September 2015 | | 2,456 × 3,262 (1.73 MB) | Mazen (talk | contribs) | About the Cover: The thermodynamic role of the conformational changes upon biomolecular interactions is shown to be exactly quantified using a distance measure from information theory, Kullback–Leibler (KL) divergence between the distributions of the co |
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