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- W2003180932 endingPage "3871" @default.
- W2003180932 startingPage "3860" @default.
- W2003180932 abstract "In this work, a double-well network model (DWNM) is presented for generating a coarse-grained free energy function that can be used to study the transition between reference conformational states of a protein molecule. Compared to earlier work that uses a single, multidimensional double-well potential to connect two conformational states, the DWNM uses a set of interconnected double-well potentials for this purpose. The DWNM free energy function has multiple intermediate states and saddle points, and is hence a rough free energy landscape. In this implementation of the DWNM, the free energy function is reduced to an elastic-network model representation near the two reference states. The effects of free energy function roughness on the reaction pathways of protein conformational change is demonstrated by applying the DWNM to the conformational changes of two protein systems: the coil-to-helix transition of the DB-loop in G-actin and the open-to-closed transition of adenylate kinase. In both systems, the rough free energy function of the DWNM leads to the identification of distinct minimum free energy paths connecting two conformational states. These results indicate that while the elastic-network model captures the low-frequency vibrational motions of a protein, the roughness in the free energy function introduced by the DWNM can be used to characterize the transition mechanism between protein conformations." @default.
- W2003180932 created "2016-06-24" @default.
- W2003180932 creator A5052393038 @default.
- W2003180932 creator A5088327041 @default.
- W2003180932 date "2007-12-01" @default.
- W2003180932 modified "2023-10-17" @default.
- W2003180932 title "Coarse-Grained Free Energy Functions for Studying Protein Conformational Changes: A Double-Well Network Model" @default.
- W2003180932 cites W1512176015 @default.
- W2003180932 cites W1518327983 @default.
- W2003180932 cites W1550166367 @default.
- W2003180932 cites W1595543747 @default.
- W2003180932 cites W1690887682 @default.
- W2003180932 cites W1835632918 @default.
- W2003180932 cites W1963781451 @default.
- W2003180932 cites W1967450294 @default.
- W2003180932 cites W1968827368 @default.
- W2003180932 cites W1969347127 @default.
- W2003180932 cites W1969937114 @default.
- W2003180932 cites W1970718348 @default.
- W2003180932 cites W1974642741 @default.
- W2003180932 cites W1981750428 @default.
- W2003180932 cites W1985767604 @default.
- W2003180932 cites W1987153424 @default.
- W2003180932 cites W1989161865 @default.
- W2003180932 cites W1992945955 @default.
- W2003180932 cites W1994842891 @default.
- W2003180932 cites W1998299443 @default.
- W2003180932 cites W1998367993 @default.
- W2003180932 cites W2002995638 @default.
- W2003180932 cites W2005865331 @default.
- W2003180932 cites W2010147661 @default.
- W2003180932 cites W2011733534 @default.
- W2003180932 cites W2014541518 @default.
- W2003180932 cites W2026064166 @default.
- W2003180932 cites W2032049213 @default.
- W2003180932 cites W2032290739 @default.
- W2003180932 cites W2033061682 @default.
- W2003180932 cites W2033580831 @default.
- W2003180932 cites W2034059915 @default.
- W2003180932 cites W2037068659 @default.
- W2003180932 cites W2037195965 @default.
- W2003180932 cites W2037797901 @default.
- W2003180932 cites W2039098353 @default.
- W2003180932 cites W2043760657 @default.
- W2003180932 cites W2044093685 @default.
- W2003180932 cites W2045621376 @default.
- W2003180932 cites W2046408940 @default.
- W2003180932 cites W2048421180 @default.
- W2003180932 cites W2048937426 @default.
- W2003180932 cites W2051893115 @default.
- W2003180932 cites W2054752913 @default.
- W2003180932 cites W2056331547 @default.
- W2003180932 cites W2058206198 @default.
- W2003180932 cites W2058267477 @default.
- W2003180932 cites W2064556178 @default.
- W2003180932 cites W2066005503 @default.
- W2003180932 cites W2067204014 @default.
- W2003180932 cites W2067763399 @default.
- W2003180932 cites W2069749424 @default.
- W2003180932 cites W2069777230 @default.
- W2003180932 cites W2069920107 @default.
- W2003180932 cites W2070967303 @default.
- W2003180932 cites W2071152222 @default.
- W2003180932 cites W2075923848 @default.
- W2003180932 cites W2082028745 @default.
- W2003180932 cites W2082912027 @default.
- W2003180932 cites W2084842323 @default.
- W2003180932 cites W2086786922 @default.
- W2003180932 cites W2086865609 @default.
- W2003180932 cites W2087982379 @default.
- W2003180932 cites W2088468251 @default.
- W2003180932 cites W2093151204 @default.
- W2003180932 cites W2097294533 @default.
- W2003180932 cites W2099490136 @default.
- W2003180932 cites W2101017457 @default.
- W2003180932 cites W2110043143 @default.
- W2003180932 cites W2115005877 @default.
- W2003180932 cites W2115666908 @default.
- W2003180932 cites W2115928493 @default.
- W2003180932 cites W2129472062 @default.
- W2003180932 cites W2133038959 @default.
- W2003180932 cites W2134742468 @default.
- W2003180932 cites W2138671124 @default.
- W2003180932 cites W2140040046 @default.
- W2003180932 cites W2142694980 @default.
- W2003180932 cites W2142872962 @default.
- W2003180932 cites W2144581781 @default.
- W2003180932 cites W2147062922 @default.
- W2003180932 cites W2149744037 @default.
- W2003180932 cites W2150058447 @default.
- W2003180932 cites W2153890737 @default.
- W2003180932 cites W2154986125 @default.
- W2003180932 cites W2155168857 @default.
- W2003180932 cites W2155503286 @default.
- W2003180932 cites W2162166182 @default.
- W2003180932 cites W2169138936 @default.
- W2003180932 cites W2171190723 @default.
- W2003180932 cites W2171755502 @default.