Ligand docking suggests isomer specific catechin induced SIRT‐1 activation
نویسندگان
چکیده
منابع مشابه
Flexible Ligand-Protein Docking
The parameters ∆H R, ∆S ◦ R and ∆Cp can all be calculated from knowledge of various changes in accessible surface area (ASA), which is defined as the surface traced out by a sphere, with radius equal to that of a solvent molecule, when rolled over the surface of the molecule of interest. This can also be formulated in configuration space as the Minkowski sum of the protein and the sphere, namel...
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Background: Myocardial dysfunction is one of the major complications in patients with sepsis where there is a relationship between the blood level of cytokines and the onset of myocardial depression. In many cases of sepsis, the presence of Lipopolysaccharide (LPS) has been established. LPS Binding Protein (LBP) bound endotoxin is recognized by CD14/toll-like receptor-4 (TLR4) complexes in inna...
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متن کاملEvaluation of docking functions for protein-ligand docking.
Docking functions are believed to be the essential component of docking algorithms. Both physically and statistically based functions have been proposed, but there is no consensus about their relative performances. Here, we propose an evaluation approach based on exhaustive enumeration of all possible docking solutions obtained with a discretized description of a rigid docking process. We apply...
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ژورنال
عنوان ژورنال: The FASEB Journal
سال: 2019
ISSN: 0892-6638,1530-6860
DOI: 10.1096/fasebj.2019.33.1_supplement.784.1