FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2533885006> ?p ?o ?g. }

• W2533885006 abstract "A critical appraisal of the current strategies for the synthesis of enantiopure drugs is presented, along with a systematic background for the computational design of stereoselective porous polymers. These materials aim to achieve the enantiomeric excess of any chiral drug, avoiding the racemic separation. Particular emphasis is given to link statistical mechanics methods to the description of each one of the experimental stages within the catalyst's synthesis, setting a framework for the fundamental study of the emerging field of molecularly imprinted catalysts.Graphical abstractThe envisaged modelling tools in the EMIC toolbox: quantum mechanics (QM), molecular dynamics and Monte Carlo (in the NPT and NVT ensembles), grand canonical Monte Carlo (GCMC) and kinetic Monte Carlo (kMC), for the synthesis of an enantiopure drug via our proposed EMIC catalyst." @default.
• W2533885006 created "2016-10-28" @default.
• W2533885006 creator A5038972332 @default.
• W2533885006 creator A5073800310 @default.
• W2533885006 creator A5078237287 @default.
• W2533885006 date "2016-10-25" @default.
• W2533885006 modified "2023-10-17" @default.
• W2533885006 title "Towards EMIC rational design: setting the molecular simulation toolbox for enantiopure molecularly imprinted catalysts" @default.
• W2533885006 cites W1535949380 @default.
• W2533885006 cites W1934978296 @default.
• W2533885006 cites W1982083799 @default.
• W2533885006 cites W1982176546 @default.
• W2533885006 cites W1993112212 @default.
• W2533885006 cites W2001072557 @default.
• W2533885006 cites W2003670327 @default.
• W2533885006 cites W2004703354 @default.
• W2533885006 cites W2012996079 @default.
• W2533885006 cites W2023963750 @default.
• W2533885006 cites W2040903206 @default.
• W2533885006 cites W2043582941 @default.
• W2533885006 cites W2050019544 @default.
• W2533885006 cites W2053645157 @default.
• W2533885006 cites W2062127424 @default.
• W2533885006 cites W2069305749 @default.
• W2533885006 cites W2069410678 @default.
• W2533885006 cites W2069996124 @default.
• W2533885006 cites W2072064566 @default.
• W2533885006 cites W2074318765 @default.
• W2533885006 cites W2094415807 @default.
• W2533885006 cites W2107340950 @default.
• W2533885006 cites W2131291185 @default.
• W2533885006 cites W2148845788 @default.
• W2533885006 cites W2158272796 @default.
• W2533885006 cites W2160729222 @default.
• W2533885006 cites W2181340284 @default.
• W2533885006 cites W2334047574 @default.
• W2533885006 cites W4234436622 @default.
• W2533885006 cites W81644945 @default.
• W2533885006 doi "https://doi.org/10.1186/s13065-016-0215-7" @default.
• W2533885006 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/5078882" @default.
• W2533885006 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/27822298" @default.
• W2533885006 hasPublicationYear "2016" @default.
• W2533885006 type Work @default.
• W2533885006 sameAs 2533885006 @default.
• W2533885006 citedByCount "6" @default.
• W2533885006 countsByYear W25338850062018 @default.
• W2533885006 countsByYear W25338850062019 @default.
• W2533885006 countsByYear W25338850062021 @default.
• W2533885006 countsByYear W25338850062022 @default.
• W2533885006 crossrefType "journal-article" @default.
• W2533885006 hasAuthorship W2533885006A5038972332 @default.
• W2533885006 hasAuthorship W2533885006A5073800310 @default.
• W2533885006 hasAuthorship W2533885006A5078237287 @default.
• W2533885006 hasBestOaLocation W25338850061 @default.
• W2533885006 hasConcept C105795698 @default.
• W2533885006 hasConcept C118792377 @default.
• W2533885006 hasConcept C146686406 @default.
• W2533885006 hasConcept C147597530 @default.
• W2533885006 hasConcept C161790260 @default.
• W2533885006 hasConcept C162602672 @default.
• W2533885006 hasConcept C178790620 @default.
• W2533885006 hasConcept C185592680 @default.
• W2533885006 hasConcept C19499675 @default.
• W2533885006 hasConcept C199360897 @default.
• W2533885006 hasConcept C2777655017 @default.
• W2533885006 hasConcept C33923547 @default.
• W2533885006 hasConcept C41008148 @default.
• W2533885006 hasConcept C45786274 @default.
• W2533885006 hasConcept C486523 @default.
• W2533885006 hasConcept C93237805 @default.
• W2533885006 hasConceptScore W2533885006C105795698 @default.
• W2533885006 hasConceptScore W2533885006C118792377 @default.
• W2533885006 hasConceptScore W2533885006C146686406 @default.
• W2533885006 hasConceptScore W2533885006C147597530 @default.
• W2533885006 hasConceptScore W2533885006C161790260 @default.
• W2533885006 hasConceptScore W2533885006C162602672 @default.
• W2533885006 hasConceptScore W2533885006C178790620 @default.
• W2533885006 hasConceptScore W2533885006C185592680 @default.
• W2533885006 hasConceptScore W2533885006C19499675 @default.
• W2533885006 hasConceptScore W2533885006C199360897 @default.
• W2533885006 hasConceptScore W2533885006C2777655017 @default.
• W2533885006 hasConceptScore W2533885006C33923547 @default.
• W2533885006 hasConceptScore W2533885006C41008148 @default.
• W2533885006 hasConceptScore W2533885006C45786274 @default.
• W2533885006 hasConceptScore W2533885006C486523 @default.
• W2533885006 hasConceptScore W2533885006C93237805 @default.
• W2533885006 hasIssue "1" @default.
• W2533885006 hasLocation W25338850061 @default.
• W2533885006 hasLocation W25338850062 @default.
• W2533885006 hasLocation W25338850063 @default.
• W2533885006 hasLocation W25338850064 @default.
• W2533885006 hasOpenAccess W2533885006 @default.
• W2533885006 hasPrimaryLocation W25338850061 @default.
• W2533885006 hasRelatedWork W2044669603 @default.
• W2533885006 hasRelatedWork W2050366421 @default.
• W2533885006 hasRelatedWork W2324336873 @default.
• W2533885006 hasRelatedWork W2533885006 @default.
• W2533885006 hasRelatedWork W2748952813 @default.
• W2533885006 hasRelatedWork W2899084033 @default.
• W2533885006 hasRelatedWork W2903782671 @default.

• next