Matches in SemOpenAlex for { <https://semopenalex.org/work/W4300768525> ?p ?o ?g. }
- W4300768525 endingPage "637" @default.
- W4300768525 startingPage "619" @default.
- W4300768525 abstract "A molecular dynamics method has been developed to describe the structural and dynamic properties of protein-ligand complexes that are truncated to their active sites. The active site is comprised of the ligand and discontinuous, positionally unrestrained peptide chains. This truncated active-site complex is surrounded by big unspecific pseudo-particles representing the complete protein and the solvent. Thus, knowledge of the folding of the outer parts of the protein is not required, and the method can be applied to protein models, derived from homology modeling. The method has been tested using ligand complexes of adenylate kinase, retinol binding protein, HIV-1 protease, and human leucocyte antigen. Comparisons with their crystal structures and with results from time-demanding simulations of the whole complexes in explicit water solvent show that the ligand binding properties are conserved. Most of the hydrogen bonds between the ligand and the active-site residues are reproduced and, furthermore, the simulation time is reduced. © 1996 John Wiley & Sons, Inc." @default.
- W4300768525 created "2022-10-04" @default.
- W4300768525 creator A5025119080 @default.
- W4300768525 creator A5031592925 @default.
- W4300768525 creator A5037175705 @default.
- W4300768525 creator A5056443023 @default.
- W4300768525 date "1998-12-06" @default.
- W4300768525 modified "2023-09-30" @default.
- W4300768525 title "A pseudo-particle approach for studying protein-ligand models truncated to their active sites" @default.
- W4300768525 cites W1568082615 @default.
- W4300768525 cites W1572462747 @default.
- W4300768525 cites W1966041739 @default.
- W4300768525 cites W1975394175 @default.
- W4300768525 cites W1995618738 @default.
- W4300768525 cites W2003158272 @default.
- W4300768525 cites W2017877477 @default.
- W4300768525 cites W2024694833 @default.
- W4300768525 cites W2026185422 @default.
- W4300768525 cites W2027063058 @default.
- W4300768525 cites W2031204530 @default.
- W4300768525 cites W2034298592 @default.
- W4300768525 cites W2042813299 @default.
- W4300768525 cites W2042906342 @default.
- W4300768525 cites W2048897709 @default.
- W4300768525 cites W2049475242 @default.
- W4300768525 cites W2053410564 @default.
- W4300768525 cites W2056368746 @default.
- W4300768525 cites W2063060974 @default.
- W4300768525 cites W2065747992 @default.
- W4300768525 cites W2066757980 @default.
- W4300768525 cites W2072325285 @default.
- W4300768525 cites W2079549303 @default.
- W4300768525 cites W2087876594 @default.
- W4300768525 cites W2089090678 @default.
- W4300768525 cites W2090443272 @default.
- W4300768525 cites W2097294533 @default.
- W4300768525 cites W2106140689 @default.
- W4300768525 cites W2115676532 @default.
- W4300768525 cites W2124660391 @default.
- W4300768525 cites W2136008324 @default.
- W4300768525 cites W2140494151 @default.
- W4300768525 cites W2145347951 @default.
- W4300768525 cites W2165535560 @default.
- W4300768525 cites W2166378933 @default.
- W4300768525 doi "https://doi.org/10.1002/(sici)1097-0282(199605)38:5<619::aid-bip7>3.0.co;2-v" @default.
- W4300768525 hasPublicationYear "1998" @default.
- W4300768525 type Work @default.
- W4300768525 citedByCount "4" @default.
- W4300768525 countsByYear W43007685252023 @default.
- W4300768525 crossrefType "journal-article" @default.
- W4300768525 hasAuthorship W4300768525A5025119080 @default.
- W4300768525 hasAuthorship W4300768525A5031592925 @default.
- W4300768525 hasAuthorship W4300768525A5037175705 @default.
- W4300768525 hasAuthorship W4300768525A5056443023 @default.
- W4300768525 hasConcept C107824862 @default.
- W4300768525 hasConcept C109095088 @default.
- W4300768525 hasConcept C112887158 @default.
- W4300768525 hasConcept C116569031 @default.
- W4300768525 hasConcept C119599485 @default.
- W4300768525 hasConcept C12554922 @default.
- W4300768525 hasConcept C127413603 @default.
- W4300768525 hasConcept C147597530 @default.
- W4300768525 hasConcept C169627665 @default.
- W4300768525 hasConcept C170493617 @default.
- W4300768525 hasConcept C178790620 @default.
- W4300768525 hasConcept C181199279 @default.
- W4300768525 hasConcept C185592680 @default.
- W4300768525 hasConcept C2776545253 @default.
- W4300768525 hasConcept C2776714187 @default.
- W4300768525 hasConcept C2777583353 @default.
- W4300768525 hasConcept C32909587 @default.
- W4300768525 hasConcept C41183919 @default.
- W4300768525 hasConcept C55493867 @default.
- W4300768525 hasConcept C59593255 @default.
- W4300768525 hasConcept C8010536 @default.
- W4300768525 hasConcept C86803240 @default.
- W4300768525 hasConceptScore W4300768525C107824862 @default.
- W4300768525 hasConceptScore W4300768525C109095088 @default.
- W4300768525 hasConceptScore W4300768525C112887158 @default.
- W4300768525 hasConceptScore W4300768525C116569031 @default.
- W4300768525 hasConceptScore W4300768525C119599485 @default.
- W4300768525 hasConceptScore W4300768525C12554922 @default.
- W4300768525 hasConceptScore W4300768525C127413603 @default.
- W4300768525 hasConceptScore W4300768525C147597530 @default.
- W4300768525 hasConceptScore W4300768525C169627665 @default.
- W4300768525 hasConceptScore W4300768525C170493617 @default.
- W4300768525 hasConceptScore W4300768525C178790620 @default.
- W4300768525 hasConceptScore W4300768525C181199279 @default.
- W4300768525 hasConceptScore W4300768525C185592680 @default.
- W4300768525 hasConceptScore W4300768525C2776545253 @default.
- W4300768525 hasConceptScore W4300768525C2776714187 @default.
- W4300768525 hasConceptScore W4300768525C2777583353 @default.
- W4300768525 hasConceptScore W4300768525C32909587 @default.
- W4300768525 hasConceptScore W4300768525C41183919 @default.
- W4300768525 hasConceptScore W4300768525C55493867 @default.
- W4300768525 hasConceptScore W4300768525C59593255 @default.
- W4300768525 hasConceptScore W4300768525C8010536 @default.
- W4300768525 hasConceptScore W4300768525C86803240 @default.