FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2008127614> ?p ?o ?g. }

• W2008127614 endingPage "257" @default.
• W2008127614 startingPage "248" @default.
• W2008127614 abstract "With 25 organic molecules that represent popular functional groups, we tested the transferability of force field parameters using both parametrized force fields CHARMM, CFF, and MMFF and generic force fields DREIDING and UNIVERSAL. We found that, if transferred parameters are used in a parametrized force field, the calculation quality is no longer superior to that of a generic force field. To achieve high quality in predictions, new parameters should be created from ab initio data whenever necessary. We investigated this approach and found that a custom-built force field can be made to reproduce ab initio results if parameters are derived specifically for the molecules of interest. The parametrization procedure was applied to a group of classic antibacterial drug molecules, the sulfonamides." @default.
• W2008127614 created "2016-06-24" @default.
• W2008127614 creator A5042995937 @default.
• W2008127614 creator A5060301743 @default.
• W2008127614 creator A5089444018 @default.
• W2008127614 date "2002-12-17" @default.
• W2008127614 modified "2023-10-11" @default.
• W2008127614 title "On the Transferability of Force Field ParametersWith an ab Initio Force Field Developed for Sulfonamides" @default.
• W2008127614 cites W1971275758 @default.
• W2008127614 cites W1975708211 @default.
• W2008127614 cites W1983918463 @default.
• W2008127614 cites W1989453019 @default.
• W2008127614 cites W1993831022 @default.
• W2008127614 cites W2001676859 @default.
• W2008127614 cites W2003329164 @default.
• W2008127614 cites W2011079470 @default.
• W2008127614 cites W2015516088 @default.
• W2008127614 cites W2018736893 @default.
• W2008127614 cites W2030971064 @default.
• W2008127614 cites W2041638743 @default.
• W2008127614 cites W2046412723 @default.
• W2008127614 cites W2049996223 @default.
• W2008127614 cites W2051381895 @default.
• W2008127614 cites W2058363175 @default.
• W2008127614 cites W2068028742 @default.
• W2008127614 cites W2072976471 @default.
• W2008127614 cites W2075381847 @default.
• W2008127614 cites W2075662351 @default.
• W2008127614 cites W2075996800 @default.
• W2008127614 cites W2085822586 @default.
• W2008127614 cites W2089910603 @default.
• W2008127614 cites W2091654157 @default.
• W2008127614 cites W2094642658 @default.
• W2008127614 cites W2095296924 @default.
• W2008127614 cites W2102537419 @default.
• W2008127614 cites W2103286646 @default.
• W2008127614 cites W2107029002 @default.
• W2008127614 cites W2120436453 @default.
• W2008127614 cites W2122199548 @default.
• W2008127614 cites W2143981217 @default.
• W2008127614 cites W2146462263 @default.
• W2008127614 cites W2147421370 @default.
• W2008127614 cites W2170507872 @default.
• W2008127614 cites W287618273 @default.
• W2008127614 cites W81070287 @default.
• W2008127614 doi "https://doi.org/10.1021/jp026612i" @default.
• W2008127614 hasPublicationYear "2002" @default.
• W2008127614 type Work @default.
• W2008127614 sameAs 2008127614 @default.
• W2008127614 citedByCount "21" @default.
• W2008127614 countsByYear W20081276142012 @default.
• W2008127614 countsByYear W20081276142013 @default.
• W2008127614 countsByYear W20081276142018 @default.
• W2008127614 countsByYear W20081276142021 @default.
• W2008127614 crossrefType "journal-article" @default.
• W2008127614 hasAuthorship W2008127614A5042995937 @default.
• W2008127614 hasAuthorship W2008127614A5060301743 @default.
• W2008127614 hasAuthorship W2008127614A5089444018 @default.
• W2008127614 hasConcept C10803110 @default.
• W2008127614 hasConcept C119857082 @default.
• W2008127614 hasConcept C121332964 @default.
• W2008127614 hasConcept C121864883 @default.
• W2008127614 hasConcept C140331021 @default.
• W2008127614 hasConcept C147597530 @default.
• W2008127614 hasConcept C159467904 @default.
• W2008127614 hasConcept C178790620 @default.
• W2008127614 hasConcept C185592680 @default.
• W2008127614 hasConcept C202444582 @default.
• W2008127614 hasConcept C202887219 @default.
• W2008127614 hasConcept C2781442258 @default.
• W2008127614 hasConcept C32909587 @default.
• W2008127614 hasConcept C33923547 @default.
• W2008127614 hasConcept C41008148 @default.
• W2008127614 hasConcept C61272859 @default.
• W2008127614 hasConcept C62520636 @default.
• W2008127614 hasConcept C74902906 @default.
• W2008127614 hasConcept C9652623 @default.
• W2008127614 hasConceptScore W2008127614C10803110 @default.
• W2008127614 hasConceptScore W2008127614C119857082 @default.
• W2008127614 hasConceptScore W2008127614C121332964 @default.
• W2008127614 hasConceptScore W2008127614C121864883 @default.
• W2008127614 hasConceptScore W2008127614C140331021 @default.
• W2008127614 hasConceptScore W2008127614C147597530 @default.
• W2008127614 hasConceptScore W2008127614C159467904 @default.
• W2008127614 hasConceptScore W2008127614C178790620 @default.
• W2008127614 hasConceptScore W2008127614C185592680 @default.
• W2008127614 hasConceptScore W2008127614C202444582 @default.
• W2008127614 hasConceptScore W2008127614C202887219 @default.
• W2008127614 hasConceptScore W2008127614C2781442258 @default.
• W2008127614 hasConceptScore W2008127614C32909587 @default.
• W2008127614 hasConceptScore W2008127614C33923547 @default.
• W2008127614 hasConceptScore W2008127614C41008148 @default.
• W2008127614 hasConceptScore W2008127614C61272859 @default.
• W2008127614 hasConceptScore W2008127614C62520636 @default.
• W2008127614 hasConceptScore W2008127614C74902906 @default.
• W2008127614 hasConceptScore W2008127614C9652623 @default.
• W2008127614 hasIssue "2" @default.
• W2008127614 hasLocation W20081276141 @default.

• next