FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4383483775> ?p ?o ?g. }

• W4383483775 abstract "Abstract Proteins are dynamic macromolecules that perform vital functions in cells. A protein structure determines its function, but this structure is not static, as proteins change their conformation to achieve various functions. Understanding the conformational landscapes of proteins is essential to understand their mechanism of action. Sets of carefully chosen conformations can summarize such complex landscapes and provide better insights into protein function than single conformations. We refer to these sets as representative conformational ensembles. Recent advances in computational methods have led to an increase in the number of available structural datasets spanning conformational landscapes. However, extracting representative conformational ensembles from such datasets is not an easy task and many methods have been developed to tackle it. Our new approach, EnGens (short for ensemble generation), collects these methods into a unified framework for generating and analyzing representative protein conformational ensembles. In this work, we: (1) provide an overview of existing methods and tools for representative protein structural ensemble generation and analysis; (2) unify existing approaches in an open-source Python package, and a portable Docker image, providing interactive visualizations within a Jupyter Notebook pipeline; (3) test our pipeline on a few canonical examples from the literature. Representative ensembles produced by EnGens can be used for many downstream tasks such as protein–ligand ensemble docking, Markov state modeling of protein dynamics and analysis of the effect of single-point mutations." @default.
• W4383483775 created "2023-07-08" @default.
• W4383483775 creator A5000923052 @default.
• W4383483775 creator A5015688397 @default.
• W4383483775 creator A5034774826 @default.
• W4383483775 creator A5036942740 @default.
• W4383483775 creator A5042576807 @default.
• W4383483775 creator A5061903235 @default.
• W4383483775 creator A5065138381 @default.
• W4383483775 creator A5066354975 @default.
• W4383483775 creator A5067205988 @default.
• W4383483775 creator A5090227170 @default.
• W4383483775 date "2023-07-01" @default.
• W4383483775 modified "2023-10-14" @default.
• W4383483775 title "EnGens: a computational framework for generation and analysis of representative protein conformational ensembles" @default.
• W4383483775 cites W1031578623 @default.
• W4383483775 cites W1875037981 @default.
• W4383483775 cites W1973996451 @default.
• W4383483775 cites W1976203248 @default.
• W4383483775 cites W1981021420 @default.
• W4383483775 cites W2001764614 @default.
• W4383483775 cites W2004303971 @default.
• W4383483775 cites W2027361781 @default.
• W4383483775 cites W2041205020 @default.
• W4383483775 cites W2046898277 @default.
• W4383483775 cites W2048537273 @default.
• W4383483775 cites W2048822589 @default.
• W4383483775 cites W2052262181 @default.
• W4383483775 cites W2054318449 @default.
• W4383483775 cites W2066270419 @default.
• W4383483775 cites W2076223436 @default.
• W4383483775 cites W2084509457 @default.
• W4383483775 cites W2085213650 @default.
• W4383483775 cites W2094795801 @default.
• W4383483775 cites W2103325328 @default.
• W4383483775 cites W2114850508 @default.
• W4383483775 cites W2119394534 @default.
• W4383483775 cites W2123681603 @default.
• W4383483775 cites W2132262459 @default.
• W4383483775 cites W2137076421 @default.
• W4383483775 cites W2147466870 @default.
• W4383483775 cites W2147988069 @default.
• W4383483775 cites W2158476854 @default.
• W4383483775 cites W2158703410 @default.
• W4383483775 cites W2220469999 @default.
• W4383483775 cites W2226825552 @default.
• W4383483775 cites W2294798173 @default.
• W4383483775 cites W2552763360 @default.
• W4383483775 cites W2620849404 @default.
• W4383483775 cites W2775004427 @default.
• W4383483775 cites W2783073729 @default.
• W4383483775 cites W2804043881 @default.
• W4383483775 cites W2892940574 @default.
• W4383483775 cites W2898210859 @default.
• W4383483775 cites W2949223833 @default.
• W4383483775 cites W2954046734 @default.
• W4383483775 cites W2964917500 @default.
• W4383483775 cites W2969604201 @default.
• W4383483775 cites W2977466517 @default.
• W4383483775 cites W3008926066 @default.
• W4383483775 cites W3046751266 @default.
• W4383483775 cites W3048799182 @default.
• W4383483775 cites W3084247016 @default.
• W4383483775 cites W3087024315 @default.
• W4383483775 cites W3100211935 @default.
• W4383483775 cites W3100810942 @default.
• W4383483775 cites W3102499948 @default.
• W4383483775 cites W3104537585 @default.
• W4383483775 cites W3105774298 @default.
• W4383483775 cites W3140562424 @default.
• W4383483775 cites W3159156584 @default.
• W4383483775 cites W3162048346 @default.
• W4383483775 cites W3177828909 @default.
• W4383483775 cites W3186179742 @default.
• W4383483775 cites W3203596047 @default.
• W4383483775 cites W3207537951 @default.
• W4383483775 cites W3211795435 @default.
• W4383483775 cites W4221147630 @default.
• W4383483775 cites W4226094936 @default.
• W4383483775 cites W4229455959 @default.
• W4383483775 cites W4281643637 @default.
• W4383483775 cites W4281942705 @default.
• W4383483775 cites W4283757661 @default.
• W4383483775 cites W4285741880 @default.
• W4383483775 cites W4297896120 @default.
• W4383483775 cites W4306670540 @default.
• W4383483775 cites W4323537970 @default.
• W4383483775 cites W4327550249 @default.
• W4383483775 doi "https://doi.org/10.1093/bib/bbad242" @default.
• W4383483775 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37418278" @default.
• W4383483775 hasPublicationYear "2023" @default.
• W4383483775 type Work @default.
• W4383483775 citedByCount "0" @default.
• W4383483775 crossrefType "journal-article" @default.
• W4383483775 hasAuthorship W4383483775A5000923052 @default.
• W4383483775 hasAuthorship W4383483775A5015688397 @default.
• W4383483775 hasAuthorship W4383483775A5034774826 @default.
• W4383483775 hasAuthorship W4383483775A5036942740 @default.
• W4383483775 hasAuthorship W4383483775A5042576807 @default.
• W4383483775 hasAuthorship W4383483775A5061903235 @default.

• next