Interplay between Conformational Entropy and Solvation Entropy in Protein–Ligand Binding
نویسندگان
چکیده
منابع مشابه
Flexibility and conformational entropy in protein-protein binding.
To better understand the interplay between protein-protein binding and protein dynamics, we analyzed molecular dynamics simulations of 17 protein-protein complexes and their unbound components. Complex formation does not restrict the conformational freedom of the partner proteins as a whole, but, rather, it leads to a redistribution of dynamics. We calculate the change in conformational entropy...
متن کاملDistinguishability in Entropy Calculations: Chemical Reactions, Conformational and Residual Entropy
By analyzing different examples of practical entropy calculations and using concepts such as conformational and residual entropies, I show herein that experimental calorimetric entropies of single molecules can be theoretically reproduced considering chemically identical atoms either as distinguishable or indistinguishable particles. The broadly used correction in entropy calculations due to th...
متن کاملTsallis Entropy and Conditional Tsallis Entropy of Fuzzy Partitions
The purpose of this study is to define the concepts of Tsallis entropy and conditional Tsallis entropy of fuzzy partitions and to obtain some results concerning this kind entropy. We show that the Tsallis entropy of fuzzy partitions has the subadditivity and concavity properties. We study this information measure under the refinement and zero mode subset relations. We check the chain rules for ...
متن کاملADK Entropy and ADK Entropy Rate in Irreducible- Aperiodic Markov Chain and Gaussian Processes
In this paper, the two parameter ADK entropy, as a generalized of Re'nyi entropy, is considered and some properties of it, are investigated. We will see that the ADK entropy for continuous random variables is invariant under a location and is not invariant under a scale transformation of the random variable. Furthermore, the joint ADK entropy, conditional ADK entropy, and chain rule of this ent...
متن کاملBetween entropy and subentropy
The von Neumann entropy and the subentropy of a mixed quantum state are upper and lower bounds, respectively, on the accessible information of any ensemble consistent with the given mixed state. Here we define and investigate a set of quantities intermediate between entropy and subentropy. PACS numbers: 03.67.-a, 89.70.+c, 65.40.Gr 1 1 Entropy and subentropy The von Neumann entropy of a quantum...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of the American Chemical Society
سال: 2019
ISSN: 0002-7863,1520-5126
DOI: 10.1021/jacs.8b11099