Matches in SemOpenAlex for { <https://semopenalex.org/work/W2072073310> ?p ?o ?g. }
Showing items 1 to 98 of
98
with 100 items per page.
- W2072073310 abstract "We develop a docking protocol based on quantum mechanical/molecular mechanical calculations in which quantum mechanical energy is used as scoring. We test the protocol with three groups of examples with various binding site characteristics. The new docking method performs as well as or better than conventional docking methods in all three groups. In particular, for proteins with primarily hydrophobic binding sites, structural motifs with possible π-π interactions are often found and it is shown that these can be better modeled with quantum mechanical scoring docking than force field based methods. It seems that the new method performs in such cases to a great accuracy." @default.
- W2072073310 created "2016-06-24" @default.
- W2072073310 creator A5009573193 @default.
- W2072073310 creator A5037425044 @default.
- W2072073310 creator A5046297458 @default.
- W2072073310 creator A5081141046 @default.
- W2072073310 date "2009-10-06" @default.
- W2072073310 modified "2023-09-25" @default.
- W2072073310 title "Quantum mechanical scoring for protein docking" @default.
- W2072073310 cites W1512801428 @default.
- W2072073310 cites W1564105979 @default.
- W2072073310 cites W1605578858 @default.
- W2072073310 cites W1985588649 @default.
- W2072073310 cites W1985953075 @default.
- W2072073310 cites W1995089537 @default.
- W2072073310 cites W1996840082 @default.
- W2072073310 cites W2009529127 @default.
- W2072073310 cites W2009967965 @default.
- W2072073310 cites W2017663720 @default.
- W2072073310 cites W2024704410 @default.
- W2072073310 cites W2027423337 @default.
- W2072073310 cites W2039216941 @default.
- W2072073310 cites W2042371816 @default.
- W2072073310 cites W2052030759 @default.
- W2072073310 cites W2058770899 @default.
- W2072073310 cites W2062845058 @default.
- W2072073310 cites W2069293737 @default.
- W2072073310 cites W2079953901 @default.
- W2072073310 cites W2102377211 @default.
- W2072073310 cites W2108899393 @default.
- W2072073310 cites W2111796195 @default.
- W2072073310 cites W2133641393 @default.
- W2072073310 cites W2133773344 @default.
- W2072073310 cites W2145682943 @default.
- W2072073310 cites W2161596131 @default.
- W2072073310 doi "https://doi.org/10.1063/1.3239504" @default.
- W2072073310 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19814544" @default.
- W2072073310 hasPublicationYear "2009" @default.
- W2072073310 type Work @default.
- W2072073310 sameAs 2072073310 @default.
- W2072073310 citedByCount "24" @default.
- W2072073310 countsByYear W20720733102012 @default.
- W2072073310 countsByYear W20720733102013 @default.
- W2072073310 countsByYear W20720733102014 @default.
- W2072073310 countsByYear W20720733102015 @default.
- W2072073310 countsByYear W20720733102016 @default.
- W2072073310 countsByYear W20720733102017 @default.
- W2072073310 countsByYear W20720733102018 @default.
- W2072073310 countsByYear W20720733102019 @default.
- W2072073310 countsByYear W20720733102022 @default.
- W2072073310 countsByYear W20720733102023 @default.
- W2072073310 crossrefType "journal-article" @default.
- W2072073310 hasAuthorship W2072073310A5009573193 @default.
- W2072073310 hasAuthorship W2072073310A5037425044 @default.
- W2072073310 hasAuthorship W2072073310A5046297458 @default.
- W2072073310 hasAuthorship W2072073310A5081141046 @default.
- W2072073310 hasConcept C10803110 @default.
- W2072073310 hasConcept C121332964 @default.
- W2072073310 hasConcept C147597530 @default.
- W2072073310 hasConcept C154945302 @default.
- W2072073310 hasConcept C159110408 @default.
- W2072073310 hasConcept C185592680 @default.
- W2072073310 hasConcept C41008148 @default.
- W2072073310 hasConcept C41685203 @default.
- W2072073310 hasConcept C62520636 @default.
- W2072073310 hasConcept C71924100 @default.
- W2072073310 hasConcept C84114770 @default.
- W2072073310 hasConceptScore W2072073310C10803110 @default.
- W2072073310 hasConceptScore W2072073310C121332964 @default.
- W2072073310 hasConceptScore W2072073310C147597530 @default.
- W2072073310 hasConceptScore W2072073310C154945302 @default.
- W2072073310 hasConceptScore W2072073310C159110408 @default.
- W2072073310 hasConceptScore W2072073310C185592680 @default.
- W2072073310 hasConceptScore W2072073310C41008148 @default.
- W2072073310 hasConceptScore W2072073310C41685203 @default.
- W2072073310 hasConceptScore W2072073310C62520636 @default.
- W2072073310 hasConceptScore W2072073310C71924100 @default.
- W2072073310 hasConceptScore W2072073310C84114770 @default.
- W2072073310 hasIssue "13" @default.
- W2072073310 hasLocation W20720733101 @default.
- W2072073310 hasLocation W20720733102 @default.
- W2072073310 hasOpenAccess W2072073310 @default.
- W2072073310 hasPrimaryLocation W20720733101 @default.
- W2072073310 hasRelatedWork W1997409847 @default.
- W2072073310 hasRelatedWork W2033589463 @default.
- W2072073310 hasRelatedWork W2125013059 @default.
- W2072073310 hasRelatedWork W2748952813 @default.
- W2072073310 hasRelatedWork W2761669656 @default.
- W2072073310 hasRelatedWork W2899084033 @default.
- W2072073310 hasRelatedWork W2949713385 @default.
- W2072073310 hasRelatedWork W3095611878 @default.
- W2072073310 hasRelatedWork W3111762867 @default.
- W2072073310 hasRelatedWork W4312983689 @default.
- W2072073310 hasVolume "131" @default.
- W2072073310 isParatext "false" @default.
- W2072073310 isRetracted "false" @default.
- W2072073310 magId "2072073310" @default.
- W2072073310 workType "article" @default.