FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2034809628> ?p ?o ?g. }

• W2034809628 endingPage "1641" @default.
• W2034809628 startingPage "1628" @default.
• W2034809628 abstract "Protein structure and dynamics in nonaqueous solvents are here investigated using molecular dynamics simulation studies, by considering two model proteins (ubiquitin and cutinase) in hexane, under varying hydration conditions. Ionization of the protein groups is treated assuming pH memory, i.e., using the ionization states characteristic of aqueous solution. Neutralization of charged groups by counterions is done by considering a counterion for each charged group that cannot be made neutral by establishing a salt bridge with another charged group; this treatment is more physically reasonable for the nonaqueous situation, contrasting with the usual procedures. Our studies show that hydration has a profound effect on protein stability and flexibility in nonaqueous solvents. The structure becomes more nativelike with increasing values of hydration, up to a certain point, when further increases render it unstable and unfolding starts to occur. There is an optimal amount of water, approximately 10% (w/w), where the protein structure and flexibility are closer to the ones found in aqueous solution. This behavior can explain the experimentally known bell-shaped dependence of enzyme catalysis on hydration, and the molecular reasons for it are examined here. Water and counterions play a fundamental and dynamic role on protein stabilization, but they also seem to be important for protein unfolding at high percentages of bound water." @default.
• W2034809628 created "2016-06-24" @default.
• W2034809628 creator A5013644294 @default.
• W2034809628 creator A5023765821 @default.
• W2034809628 creator A5087057263 @default.
• W2034809628 date "2003-03-01" @default.
• W2034809628 modified "2023-10-13" @default.
• W2034809628 title "Protein Structure and Dynamics in Nonaqueous Solvents: Insights from Molecular Dynamics Simulation Studies" @default.
• W2034809628 cites W1544750576 @default.
• W2034809628 cites W1549240509 @default.
• W2034809628 cites W1563222268 @default.
• W2034809628 cites W1586645702 @default.
• W2034809628 cites W1963710837 @default.
• W2034809628 cites W1968533597 @default.
• W2034809628 cites W1970658820 @default.
• W2034809628 cites W1979263745 @default.
• W2034809628 cites W1988325482 @default.
• W2034809628 cites W1990808614 @default.
• W2034809628 cites W1990942442 @default.
• W2034809628 cites W1991161477 @default.
• W2034809628 cites W1994923840 @default.
• W2034809628 cites W1997747662 @default.
• W2034809628 cites W1998286666 @default.
• W2034809628 cites W2000232310 @default.
• W2034809628 cites W2000658965 @default.
• W2034809628 cites W2000789452 @default.
• W2034809628 cites W2002048459 @default.
• W2034809628 cites W2002437808 @default.
• W2034809628 cites W2004709088 @default.
• W2034809628 cites W2007261233 @default.
• W2034809628 cites W2008708467 @default.
• W2034809628 cites W2008869811 @default.
• W2034809628 cites W2017118783 @default.
• W2034809628 cites W2023238596 @default.
• W2034809628 cites W2023749958 @default.
• W2034809628 cites W2024523414 @default.
• W2034809628 cites W2025304086 @default.
• W2034809628 cites W2025566860 @default.
• W2034809628 cites W2027154929 @default.
• W2034809628 cites W2028231353 @default.
• W2034809628 cites W2032486811 @default.
• W2034809628 cites W2033906450 @default.
• W2034809628 cites W2035176560 @default.
• W2034809628 cites W2035266068 @default.
• W2034809628 cites W2036302640 @default.
• W2034809628 cites W2040311028 @default.
• W2034809628 cites W2040999486 @default.
• W2034809628 cites W2043126023 @default.
• W2034809628 cites W2044099939 @default.
• W2034809628 cites W2045414748 @default.
• W2034809628 cites W2050447276 @default.
• W2034809628 cites W2054505939 @default.
• W2034809628 cites W2054991954 @default.
• W2034809628 cites W2057465185 @default.
• W2034809628 cites W2058014599 @default.
• W2034809628 cites W2061038977 @default.
• W2034809628 cites W2063142947 @default.
• W2034809628 cites W2065622824 @default.
• W2034809628 cites W2070662400 @default.
• W2034809628 cites W2075450725 @default.
• W2034809628 cites W2075662564 @default.
• W2034809628 cites W2079243965 @default.
• W2034809628 cites W2079364658 @default.
• W2034809628 cites W2080108351 @default.
• W2034809628 cites W2080528351 @default.
• W2034809628 cites W2081431207 @default.
• W2034809628 cites W2084058389 @default.
• W2034809628 cites W2085537669 @default.
• W2034809628 cites W2088697165 @default.
• W2034809628 cites W2091592301 @default.
• W2034809628 cites W2092482473 @default.
• W2034809628 cites W2103734924 @default.
• W2034809628 cites W2106140689 @default.
• W2034809628 cites W2133558724 @default.
• W2034809628 cites W2140490599 @default.
• W2034809628 cites W2154576817 @default.
• W2034809628 cites W2155858732 @default.
• W2034809628 cites W2156012420 @default.
• W2034809628 cites W2160008812 @default.
• W2034809628 cites W2163430576 @default.
• W2034809628 cites W2165590082 @default.
• W2034809628 cites W2495530181 @default.
• W2034809628 cites W4236871907 @default.
• W2034809628 cites W4297092563 @default.
• W2034809628 doi "https://doi.org/10.1016/s0006-3495(03)74972-8" @default.
• W2034809628 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/1302733" @default.
• W2034809628 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/12609866" @default.
• W2034809628 hasPublicationYear "2003" @default.
• W2034809628 type Work @default.
• W2034809628 sameAs 2034809628 @default.
• W2034809628 citedByCount "119" @default.
• W2034809628 countsByYear W20348096282012 @default.
• W2034809628 countsByYear W20348096282013 @default.
• W2034809628 countsByYear W20348096282014 @default.
• W2034809628 countsByYear W20348096282015 @default.
• W2034809628 countsByYear W20348096282016 @default.
• W2034809628 countsByYear W20348096282017 @default.
• W2034809628 countsByYear W20348096282018 @default.

• next