Matches in SemOpenAlex for { <https://semopenalex.org/work/W2767447785> ?p ?o ?g. }
- W2767447785 endingPage "6357" @default.
- W2767447785 startingPage "6343" @default.
- W2767447785 abstract "Allostery describes the functional coupling between sites in biomolecules. Recently, the role of changes in protein dynamics for allosteric communication has been highlighted. A quantitative and predictive description of allostery is fundamental for understanding biological processes. Here, we integrate an ensemble-based perturbation approach with the analysis of biomolecular rigidity and flexibility to construct a model of dynamic allostery. Our model, by definition, excludes the possibility of conformational changes, evaluates static, not dynamic, properties of molecular systems, and describes allosteric effects due to ligand binding in terms of a novel free-energy measure. We validated our model on three distinct biomolecular systems: eglin c, protein tyrosine phosphatase 1B, and the lymphocyte function-associated antigen 1 domain. In all cases, it successfully identified key residues for signal transmission in very good agreement with the experiment. It correctly and quantitatively discriminated between positively or negatively cooperative effects for one of the systems. Our model should be a promising tool for the rational discovery of novel allosteric drugs." @default.
- W2767447785 created "2017-11-17" @default.
- W2767447785 creator A5002165980 @default.
- W2767447785 creator A5041311268 @default.
- W2767447785 creator A5048787474 @default.
- W2767447785 creator A5063949219 @default.
- W2767447785 creator A5065761868 @default.
- W2767447785 creator A5088520233 @default.
- W2767447785 date "2017-11-27" @default.
- W2767447785 modified "2023-10-08" @default.
- W2767447785 title "Ensemble- and Rigidity Theory-Based Perturbation Approach To Analyze Dynamic Allostery" @default.
- W2767447785 cites W1166518027 @default.
- W2767447785 cites W1479880028 @default.
- W2767447785 cites W1538457056 @default.
- W2767447785 cites W1573009101 @default.
- W2767447785 cites W1625910593 @default.
- W2767447785 cites W1964439982 @default.
- W2767447785 cites W1965346275 @default.
- W2767447785 cites W1968872901 @default.
- W2767447785 cites W1969939692 @default.
- W2767447785 cites W1970376071 @default.
- W2767447785 cites W1971937094 @default.
- W2767447785 cites W1972660398 @default.
- W2767447785 cites W1978313400 @default.
- W2767447785 cites W1978791580 @default.
- W2767447785 cites W1979805277 @default.
- W2767447785 cites W1988373084 @default.
- W2767447785 cites W1992784105 @default.
- W2767447785 cites W1993395402 @default.
- W2767447785 cites W1998093640 @default.
- W2767447785 cites W2002484456 @default.
- W2767447785 cites W2002734029 @default.
- W2767447785 cites W2005392755 @default.
- W2767447785 cites W2007551386 @default.
- W2767447785 cites W2008819364 @default.
- W2767447785 cites W2009987871 @default.
- W2767447785 cites W2014252415 @default.
- W2767447785 cites W2015313829 @default.
- W2767447785 cites W2018869880 @default.
- W2767447785 cites W2019004327 @default.
- W2767447785 cites W2019619651 @default.
- W2767447785 cites W2021759674 @default.
- W2767447785 cites W2022431638 @default.
- W2767447785 cites W2022786966 @default.
- W2767447785 cites W2026552146 @default.
- W2767447785 cites W2026911129 @default.
- W2767447785 cites W2029815870 @default.
- W2767447785 cites W2031972197 @default.
- W2767447785 cites W2035586950 @default.
- W2767447785 cites W2035610379 @default.
- W2767447785 cites W2043429268 @default.
- W2767447785 cites W2043529199 @default.
- W2767447785 cites W2044529125 @default.
- W2767447785 cites W2048934130 @default.
- W2767447785 cites W2049524895 @default.
- W2767447785 cites W2049598343 @default.
- W2767447785 cites W2052504582 @default.
- W2767447785 cites W2053717973 @default.
- W2767447785 cites W2053858804 @default.
- W2767447785 cites W2055118002 @default.
- W2767447785 cites W2057400263 @default.
- W2767447785 cites W2058240476 @default.
- W2767447785 cites W2061486876 @default.
- W2767447785 cites W2063559096 @default.
- W2767447785 cites W2065674696 @default.
- W2767447785 cites W2066122522 @default.
- W2767447785 cites W2066433988 @default.
- W2767447785 cites W2066583787 @default.
- W2767447785 cites W2066787645 @default.
- W2767447785 cites W2068725034 @default.
- W2767447785 cites W2073714240 @default.
- W2767447785 cites W2075379119 @default.
- W2767447785 cites W2083372216 @default.
- W2767447785 cites W2086316973 @default.
- W2767447785 cites W2087395511 @default.
- W2767447785 cites W2088491250 @default.
- W2767447785 cites W2091060891 @default.
- W2767447785 cites W2091237955 @default.
- W2767447785 cites W2092006899 @default.
- W2767447785 cites W2092443343 @default.
- W2767447785 cites W2092956715 @default.
- W2767447785 cites W2093547815 @default.
- W2767447785 cites W2094795801 @default.
- W2767447785 cites W2095420958 @default.
- W2767447785 cites W2096646197 @default.
- W2767447785 cites W2097365925 @default.
- W2767447785 cites W2099970772 @default.
- W2767447785 cites W2100284567 @default.
- W2767447785 cites W2101481219 @default.
- W2767447785 cites W2102128987 @default.
- W2767447785 cites W2103885137 @default.
- W2767447785 cites W2105371577 @default.
- W2767447785 cites W2107553760 @default.
- W2767447785 cites W2110225266 @default.
- W2767447785 cites W2115152262 @default.
- W2767447785 cites W2125623692 @default.
- W2767447785 cites W2130954092 @default.
- W2767447785 cites W2134742468 @default.