FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4252350360> ?p ?o ?g. }

• W4252350360 abstract "Abstract The combination of quantum mechanics and molecular mechanics (QM/MM) methods is a promising approach to study the structure, function, and properties of proteins. The number of QM/MM applications on metalloproteins has been steadily increasing and it is the method of choice to study the influence of the protein onto the structure, spectroscopy, and energetics of an active site. In particular, it has been shown that QM/MM calculations can provide geometries of metal sites in proteins with an accuracy that is better than in low‐ and medium‐resolution crystal structures. However, it is quite hard to obtain reliable and converged energies. Therefore, QM/MM is still an area of method development and no consensus of the best treatment of a protein has yet been reached. This review covers various aspects of QM/MM studies of metalloproteins, including methods to incorporate experimental data in the calculations, methods to obtain reliable energies, as well as some examples of typical applications." @default.
• W4252350360 created "2022-05-12" @default.
• W4252350360 creator A5030625494 @default.
• W4252350360 date "2005-09-07" @default.
• W4252350360 modified "2023-10-17" @default.
• W4252350360 title "Quantum Mechanical/Molecular Mechanical (QM/MM) Methods and Applictions in Bioinorganic Chemistry" @default.
• W4252350360 cites W1500770275 @default.
• W4252350360 cites W1548898848 @default.
• W4252350360 cites W1564105979 @default.
• W4252350360 cites W1564437422 @default.
• W4252350360 cites W1978146620 @default.
• W4252350360 cites W1981355899 @default.
• W4252350360 cites W1986025575 @default.
• W4252350360 cites W1996439360 @default.
• W4252350360 cites W2004303971 @default.
• W4252350360 cites W2005006361 @default.
• W4252350360 cites W2013253424 @default.
• W4252350360 cites W2014520450 @default.
• W4252350360 cites W2020321059 @default.
• W4252350360 cites W2027684389 @default.
• W4252350360 cites W2028291957 @default.
• W4252350360 cites W2035165207 @default.
• W4252350360 cites W2042371816 @default.
• W4252350360 cites W2048504676 @default.
• W4252350360 cites W2049897015 @default.
• W4252350360 cites W2051972533 @default.
• W4252350360 cites W2054640814 @default.
• W4252350360 cites W2057052341 @default.
• W4252350360 cites W2061447951 @default.
• W4252350360 cites W2064214385 @default.
• W4252350360 cites W2067873880 @default.
• W4252350360 cites W2071963550 @default.
• W4252350360 cites W2084187181 @default.
• W4252350360 cites W2085941771 @default.
• W4252350360 cites W2090950271 @default.
• W4252350360 cites W2094114797 @default.
• W4252350360 cites W2095185324 @default.
• W4252350360 cites W2100032379 @default.
• W4252350360 cites W2101217381 @default.
• W4252350360 cites W2108116455 @default.
• W4252350360 cites W2118044947 @default.
• W4252350360 cites W2119292856 @default.
• W4252350360 cites W2131713387 @default.
• W4252350360 cites W2147727096 @default.
• W4252350360 cites W2151694463 @default.
• W4252350360 cites W2152220941 @default.
• W4252350360 cites W2153738830 @default.
• W4252350360 cites W2171893485 @default.
• W4252350360 cites W2949344545 @default.
• W4252350360 doi "https://doi.org/10.1002/0470862106.ia606" @default.
• W4252350360 hasPublicationYear "2005" @default.
• W4252350360 type Work @default.
• W4252350360 citedByCount "0" @default.
• W4252350360 crossrefType "other" @default.
• W4252350360 hasAuthorship W4252350360A5030625494 @default.
• W4252350360 hasConcept C115624301 @default.
• W4252350360 hasConcept C147597530 @default.
• W4252350360 hasConcept C159467904 @default.
• W4252350360 hasConcept C167816639 @default.
• W4252350360 hasConcept C171250308 @default.
• W4252350360 hasConcept C17165728 @default.
• W4252350360 hasConcept C178790620 @default.
• W4252350360 hasConcept C185592680 @default.
• W4252350360 hasConcept C192562407 @default.
• W4252350360 hasConcept C20803032 @default.
• W4252350360 hasConcept C22994065 @default.
• W4252350360 hasConcept C25057246 @default.
• W4252350360 hasConcept C2991951333 @default.
• W4252350360 hasConcept C32909587 @default.
• W4252350360 hasConcept C544153396 @default.
• W4252350360 hasConcept C59593255 @default.
• W4252350360 hasConcept C71240020 @default.
• W4252350360 hasConcept C8010536 @default.
• W4252350360 hasConcept C93275456 @default.
• W4252350360 hasConceptScore W4252350360C115624301 @default.
• W4252350360 hasConceptScore W4252350360C147597530 @default.
• W4252350360 hasConceptScore W4252350360C159467904 @default.
• W4252350360 hasConceptScore W4252350360C167816639 @default.
• W4252350360 hasConceptScore W4252350360C171250308 @default.
• W4252350360 hasConceptScore W4252350360C17165728 @default.
• W4252350360 hasConceptScore W4252350360C178790620 @default.
• W4252350360 hasConceptScore W4252350360C185592680 @default.
• W4252350360 hasConceptScore W4252350360C192562407 @default.
• W4252350360 hasConceptScore W4252350360C20803032 @default.
• W4252350360 hasConceptScore W4252350360C22994065 @default.
• W4252350360 hasConceptScore W4252350360C25057246 @default.
• W4252350360 hasConceptScore W4252350360C2991951333 @default.
• W4252350360 hasConceptScore W4252350360C32909587 @default.
• W4252350360 hasConceptScore W4252350360C544153396 @default.
• W4252350360 hasConceptScore W4252350360C59593255 @default.
• W4252350360 hasConceptScore W4252350360C71240020 @default.
• W4252350360 hasConceptScore W4252350360C8010536 @default.
• W4252350360 hasConceptScore W4252350360C93275456 @default.
• W4252350360 hasLocation W42523503601 @default.
• W4252350360 hasOpenAccess W4252350360 @default.
• W4252350360 hasPrimaryLocation W42523503601 @default.
• W4252350360 hasRelatedWork W1969388555 @default.
• W4252350360 hasRelatedWork W2007943477 @default.
• W4252350360 hasRelatedWork W2016790525 @default.
• W4252350360 hasRelatedWork W2033714793 @default.

• next