FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2073631389> ?p ?o ?g. }

• W2073631389 endingPage "911" @default.
• W2073631389 startingPage "895" @default.
• W2073631389 abstract "Membrane proteins comprise a significant fraction of the proteomes of sequenced organisms and are the targets of approximately half of marketed drugs. However, in spite of their prevalence and biomedical importance, relatively few experimental structures are available due to technical challenges. Computational simulations can potentially address this deficit by providing structural models of membrane proteins. Solvation within the spatially heterogeneous membrane/solvent environment provides a major component of the energetics driving protein folding and association within the membrane. We have developed an implicit solvation model for membranes that is both computationally efficient and accurate enough to enable molecular mechanics predictions for the folding and association of peptides within the membrane. We derived the new atomic solvation model parameters using an unbiased fitting procedure to experimental data and have applied it to diverse problems in order to test its accuracy and to gain insight into membrane protein folding. First, we predicted the positions and orientations of peptides and complexes within the lipid bilayer and compared the simulation results with solid-state NMR structures. Additionally, we performed folding simulations for a series of host-guest peptides with varying propensities to form alpha helices in a hydrophobic environment and compared the structures with experimental measurements. We were also able to successfully predict the structures of amphipathic peptides as well as the structures for dimeric complexes of short hexapeptides that have experimentally characterized propensities to form beta sheets within the membrane. Finally, we compared calculated relative transfer energies with data from experiments measuring the effects of mutations on the free energies of translocon-mediated insertion of proteins into lipid bilayers and of combined folding and membrane insertion of a beta barrel protein." @default.
• W2073631389 created "2016-06-24" @default.
• W2073631389 creator A5052037780 @default.
• W2073631389 creator A5064101943 @default.
• W2073631389 creator A5082225302 @default.
• W2073631389 date "2011-09-09" @default.
• W2073631389 modified "2023-10-14" @default.
• W2073631389 title "Efficient molecular mechanics simulations of the folding, orientation, and assembly of peptides in lipid bilayers using an implicit atomic solvation model" @default.
• W2073631389 cites W1480376833 @default.
• W2073631389 cites W1544009106 @default.
• W2073631389 cites W1857017278 @default.
• W2073631389 cites W1945664147 @default.
• W2073631389 cites W1963550288 @default.
• W2073631389 cites W1966438745 @default.
• W2073631389 cites W1975832522 @default.
• W2073631389 cites W198093230 @default.
• W2073631389 cites W1982258330 @default.
• W2073631389 cites W1990292117 @default.
• W2073631389 cites W1991653374 @default.
• W2073631389 cites W1996478334 @default.
• W2073631389 cites W1996546582 @default.
• W2073631389 cites W2001130582 @default.
• W2073631389 cites W2001148193 @default.
• W2073631389 cites W2005651680 @default.
• W2073631389 cites W2006177920 @default.
• W2073631389 cites W2007415752 @default.
• W2073631389 cites W2008679330 @default.
• W2073631389 cites W2008708467 @default.
• W2073631389 cites W2019215286 @default.
• W2073631389 cites W2022077899 @default.
• W2073631389 cites W2022748695 @default.
• W2073631389 cites W2023256284 @default.
• W2073631389 cites W2023400093 @default.
• W2073631389 cites W2026593599 @default.
• W2073631389 cites W2027638447 @default.
• W2073631389 cites W2027978582 @default.
• W2073631389 cites W2029087609 @default.
• W2073631389 cites W2037603210 @default.
• W2073631389 cites W2037769268 @default.
• W2073631389 cites W2037803966 @default.
• W2073631389 cites W2038302435 @default.
• W2073631389 cites W2042527516 @default.
• W2073631389 cites W2043793450 @default.
• W2073631389 cites W2046487837 @default.
• W2073631389 cites W2047887742 @default.
• W2073631389 cites W2048496209 @default.
• W2073631389 cites W2049286183 @default.
• W2073631389 cites W2053797131 @default.
• W2073631389 cites W2054342311 @default.
• W2073631389 cites W2062081085 @default.
• W2073631389 cites W2067541286 @default.
• W2073631389 cites W2067591792 @default.
• W2073631389 cites W2069888185 @default.
• W2073631389 cites W2074421004 @default.
• W2073631389 cites W2075789879 @default.
• W2073631389 cites W2076254891 @default.
• W2073631389 cites W2078619116 @default.
• W2073631389 cites W2079256756 @default.
• W2073631389 cites W2079589162 @default.
• W2073631389 cites W2080165003 @default.
• W2073631389 cites W2084896972 @default.
• W2073631389 cites W2086676297 @default.
• W2073631389 cites W2086747619 @default.
• W2073631389 cites W2086902963 @default.
• W2073631389 cites W2090065141 @default.
• W2073631389 cites W2095169134 @default.
• W2073631389 cites W2107155619 @default.
• W2073631389 cites W2109575498 @default.
• W2073631389 cites W2126912623 @default.
• W2073631389 cites W2133342446 @default.
• W2073631389 cites W2134731229 @default.
• W2073631389 cites W2143632667 @default.
• W2073631389 cites W2145020089 @default.
• W2073631389 cites W2148188777 @default.
• W2073631389 cites W2149081087 @default.
• W2073631389 cites W2153654642 @default.
• W2073631389 cites W2162504629 @default.
• W2073631389 cites W2163137692 @default.
• W2073631389 cites W2314225034 @default.
• W2073631389 cites W4230736766 @default.
• W2073631389 doi "https://doi.org/10.1007/s10822-011-9470-9" @default.
• W2073631389 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4175375" @default.
• W2073631389 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21904908" @default.
• W2073631389 hasPublicationYear "2011" @default.
• W2073631389 type Work @default.
• W2073631389 sameAs 2073631389 @default.
• W2073631389 citedByCount "5" @default.
• W2073631389 countsByYear W20736313892013 @default.
• W2073631389 countsByYear W20736313892015 @default.
• W2073631389 countsByYear W20736313892016 @default.
• W2073631389 countsByYear W20736313892019 @default.
• W2073631389 crossrefType "journal-article" @default.
• W2073631389 hasAuthorship W2073631389A5052037780 @default.
• W2073631389 hasAuthorship W2073631389A5064101943 @default.
• W2073631389 hasAuthorship W2073631389A5082225302 @default.
• W2073631389 hasBestOaLocation W20736313892 @default.
• W2073631389 hasConcept C119599485 @default.
• W2073631389 hasConcept C12554922 @default.

• next