نتایج جستجو برای: entropy of binding

تعداد نتایج: 21203556  

2014
Klaus R. Liedl

Entropy is an elusive and somehow non-intuitive concept. Nevertheless, entropy governs spontaneous thermodynamic processes as important contribution to Gibbs Free Energy. Information theory defines Shannon entropy as a measure for uncertainty. In the context of protein binding the inherent link between flexibility, thus conformational entropy, and substrate specificity is discussed. Substrate p...

Journal: :Biophysical journal 2000
N Ben-Tal B Honig C K Bagdassarian A Ben-Shaul

The association of two species to form a bound complex, e.g., the binding of a ligand to a protein or the adsorption of a peptide on a lipid membrane, involves an entropy loss, reflecting the conversion of free translational and rotational degrees of freedom into bound motions. Previous theoretical estimates of the standard entropy change in bimolecular binding processes, DeltaS(o), have been d...

Journal: :bulletin of the iranian mathematical society 2012
mehdi rahimi abdolhamid riazi

in this paper we introduce the concept of entropy operator for continuous systems of finite topological entropy. it is shown that it generates the kolmogorov entropy as a special case. if $phi$ is invertible then the entropy operator is bounded with the topological entropy of $phi$ as its norm.

Journal: :Nucleic acids research 1998
B Lustig I Bahar R L Jernigan

For the binding of peptides to wild-type HIV-1 and BIV TAR RNA and to mutants with bulges of various sizes, changes in the DeltaDelta G values of binding were determined from experimental K d values. The corresponding entropies of these bulges are estimated by enumerating all possible RNA bulge conformations on a lattice and then applying the Boltzmann relationship. Independent calculations of ...

Interactions of cationic tetrakis (N,N´,N´´,N´´´-tetramethyltetra-3,4-pyridinoporphyrazinatocobalt(II) (Co(tmtppa)) with synthetic polynucleotides, poly(A-T), poly(G-C) and calf thymus DNA have been characterized in 5 mM phosphate buffer, pH 7.2, by optical absorption and fluorescence spectroscopy. The appearance of hypochromicity effect and the red shift in UV-Vis spectrum of porphyrazine was ...

The purpose of this study is to investigate the interaction of Etofylline as an established drug for asthma remedy, with the major transport protein in human blood circulation, the human serum albumin (HSA). In this respect, the fluorescence and circular dichroism (CD) spectroscopy techniques, along with the molecular docking and molecular dynamics simulation methods were employed. Analysis of ...

Journal: :The Journal of Physical Chemistry C 2014

Journal: :Journal of the American Chemical Society 2004
Chia-En Chang Michael K Gilson

This study applies a novel computational method to study molecular recognition for three sets of synthetic hosts: molecular clips, molecular tweezers, and a synthetic barbiturate receptor. The computed standard free energies of binding for the 12 binding reactions agree closely with experiment and provide insight into the roles of configurational entropy, preorganization, and induced fit in the...

Journal: :Proteins 2011
Hetunandan Kamisetty Arvind Ramanathan Chris Bailey-Kellogg Christopher James Langmead

Protein-protein interactions are governed by the change in free energy upon binding, ΔG = ΔH - TΔS. These interactions are often marginally stable, so one must examine the balance between the change in enthalpy, ΔH, and the change in entropy, ΔS, when investigating known complexes, characterizing the effects of mutations, or designing optimized variants. To perform a large-scale study into the ...

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