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• W2419035796 abstract "We introduce various, recently developed, generalized ensemble methods, which are useful to sample various molecular configurations emerging in the process of protein-protein or protein-ligand binding. The methods introduced here are those that have been or will be applied to biomolecular binding, where the biomolecules are treated as flexible molecules expressed by an all-atom model in an explicit solvent. Sampling produces an ensemble of conformations (snapshots) that are thermodynamically probable at room temperature. Then, projection of those conformations to an abstract low-dimensional space generates a free-energy landscape. As an example, we show a landscape of homo-dimer formation of an endothelin-1-like molecule computed using a generalized ensemble method. The lowest free-energy cluster at room temperature coincided precisely with the experimentally determined complex structure. Two minor clusters were also found in the landscape, which were largely different from the native complex form. Although those clusters were isolated at room temperature, with rising temperature a pathway emerged linking the lowest and second-lowest free-energy clusters, and a further temperature increment connected all the clusters. This exemplifies that the generalized ensemble method is a powerful tool for computing the free-energy landscape, by which one can discuss the thermodynamic stability of clusters and the temperature dependence of the cluster networks." @default.
• W2419035796 created "2016-06-24" @default.
• W2419035796 creator A5014392196 @default.
• W2419035796 creator A5035143113 @default.
• W2419035796 creator A5056979882 @default.
• W2419035796 date "2016-06-10" @default.
• W2419035796 modified "2023-10-16" @default.
• W2419035796 title "Enhanced conformational sampling to visualize a free-energy landscape of protein complex formation" @default.
• W2419035796 cites W1906544940 @default.
• W2419035796 cites W1911230653 @default.
• W2419035796 cites W1966800152 @default.
• W2419035796 cites W1968176401 @default.
• W2419035796 cites W1970897635 @default.
• W2419035796 cites W1971801102 @default.
• W2419035796 cites W1972042494 @default.
• W2419035796 cites W1974974739 @default.
• W2419035796 cites W1978403382 @default.
• W2419035796 cites W1978731393 @default.
• W2419035796 cites W1983609086 @default.
• W2419035796 cites W1983628095 @default.
• W2419035796 cites W1987048113 @default.
• W2419035796 cites W1988457250 @default.
• W2419035796 cites W1990568207 @default.
• W2419035796 cites W1990996314 @default.
• W2419035796 cites W1993177346 @default.
• W2419035796 cites W1993863418 @default.
• W2419035796 cites W1999815859 @default.
• W2419035796 cites W2002545856 @default.
• W2419035796 cites W2004560375 @default.
• W2419035796 cites W2005965079 @default.
• W2419035796 cites W2006192061 @default.
• W2419035796 cites W2007008725 @default.
• W2419035796 cites W2012363170 @default.
• W2419035796 cites W2012700578 @default.
• W2419035796 cites W2013399281 @default.
• W2419035796 cites W2013593586 @default.
• W2419035796 cites W2016170088 @default.
• W2419035796 cites W2020327873 @default.
• W2419035796 cites W2023487073 @default.
• W2419035796 cites W2033529815 @default.
• W2419035796 cites W2034917321 @default.
• W2419035796 cites W2036782492 @default.
• W2419035796 cites W2036825614 @default.
• W2419035796 cites W2039369142 @default.
• W2419035796 cites W2040809566 @default.
• W2419035796 cites W2041881307 @default.
• W2419035796 cites W2043432627 @default.
• W2419035796 cites W2043719428 @default.
• W2419035796 cites W2046001409 @default.
• W2419035796 cites W2049297363 @default.
• W2419035796 cites W2050774715 @default.
• W2419035796 cites W2055648985 @default.
• W2419035796 cites W2056359135 @default.
• W2419035796 cites W2060515155 @default.
• W2419035796 cites W2061438701 @default.
• W2419035796 cites W2062692230 @default.
• W2419035796 cites W2065281489 @default.
• W2419035796 cites W2067236515 @default.
• W2419035796 cites W2075573512 @default.
• W2419035796 cites W2081299079 @default.
• W2419035796 cites W2082928854 @default.
• W2419035796 cites W2083316337 @default.
• W2419035796 cites W2089495268 @default.
• W2419035796 cites W2094334239 @default.
• W2419035796 cites W2109102515 @default.
• W2419035796 cites W2109455667 @default.
• W2419035796 cites W2112154906 @default.
• W2419035796 cites W2113312001 @default.
• W2419035796 cites W2117285383 @default.
• W2419035796 cites W2121224790 @default.
• W2419035796 cites W2131187223 @default.
• W2419035796 cites W2135965992 @default.
• W2419035796 cites W2141773400 @default.
• W2419035796 cites W2145410423 @default.
• W2419035796 cites W2146895524 @default.
• W2419035796 cites W2149655632 @default.
• W2419035796 cites W2160075945 @default.
• W2419035796 cites W2162804111 @default.
• W2419035796 cites W2166631256 @default.
• W2419035796 cites W2210269898 @default.
• W2419035796 cites W2281802592 @default.
• W2419035796 cites W2329867073 @default.
• W2419035796 cites W2962935845 @default.
• W2419035796 cites W3098919389 @default.
• W2419035796 cites W3100565380 @default.
• W2419035796 cites W3101006260 @default.
• W2419035796 cites W3102987216 @default.
• W2419035796 cites W4247227502 @default.
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• W2419035796 doi "https://doi.org/10.1042/bcj20160053" @default.
• W2419035796 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4901360" @default.
• W2419035796 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/27288028" @default.
• W2419035796 hasPublicationYear "2016" @default.
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