Matches in SemOpenAlex for { <https://semopenalex.org/work/W2320055370> ?p ?o ?g. }
- W2320055370 endingPage "2149" @default.
- W2320055370 startingPage "2137" @default.
- W2320055370 abstract "Accurate modeling of molecular systems requires a good knowledge of the structure; therefore, conformation searching/optimization is a routine necessity in computational chemistry. Here we present a hybrid metaheuristic optimization (HMO) algorithm, which combines ant colony optimization (ACO) and particle swarm optimization (PSO) for the optimization of molecular systems. The HMO implementation meta-optimizes the parameters of the ACO algorithm on-the-fly by the coupled PSO algorithm. The ACO parameters were optimized on a set of small difluorinated polyenes where the parameters exhibited small variance as the size of the molecule increased. The HMO algorithm was validated by searching for the closed form of around 100 molecular balances. Compared to the gradient-based optimized molecular balance structures, the HMO algorithm was able to find low-energy conformations with a 87% success rate. Finally, the computational effort for generating low-energy conformation(s) for the phenylalanyl-glycyl-glycine tripeptide was approximately 60 CPU hours with the ACO algorithm, in comparison to 4 CPU years required for an exhaustive brute-force calculation." @default.
- W2320055370 created "2016-06-24" @default.
- W2320055370 creator A5010495926 @default.
- W2320055370 creator A5013870582 @default.
- W2320055370 creator A5037410384 @default.
- W2320055370 creator A5066929221 @default.
- W2320055370 date "2013-03-19" @default.
- W2320055370 modified "2023-09-24" @default.
- W2320055370 title "Hybrid Metaheuristic Approach for Nonlocal Optimization of Molecular Systems" @default.
- W2320055370 cites W1640378004 @default.
- W2320055370 cites W1801849579 @default.
- W2320055370 cites W1968642986 @default.
- W2320055370 cites W1968919866 @default.
- W2320055370 cites W1980126226 @default.
- W2320055370 cites W1981514633 @default.
- W2320055370 cites W1981673862 @default.
- W2320055370 cites W1981735054 @default.
- W2320055370 cites W1986476601 @default.
- W2320055370 cites W1986616230 @default.
- W2320055370 cites W1987122308 @default.
- W2320055370 cites W1990921708 @default.
- W2320055370 cites W1996873419 @default.
- W2320055370 cites W1998402557 @default.
- W2320055370 cites W1998507729 @default.
- W2320055370 cites W2003183212 @default.
- W2320055370 cites W2003398040 @default.
- W2320055370 cites W2005197672 @default.
- W2320055370 cites W2007663400 @default.
- W2320055370 cites W2009117565 @default.
- W2320055370 cites W2013785414 @default.
- W2320055370 cites W2015944086 @default.
- W2320055370 cites W2031558918 @default.
- W2320055370 cites W2034377328 @default.
- W2320055370 cites W2035454388 @default.
- W2320055370 cites W2036023226 @default.
- W2320055370 cites W2038135746 @default.
- W2320055370 cites W2038879554 @default.
- W2320055370 cites W2050378309 @default.
- W2320055370 cites W2056265302 @default.
- W2320055370 cites W2056294091 @default.
- W2320055370 cites W2056791158 @default.
- W2320055370 cites W2062813385 @default.
- W2320055370 cites W2062920273 @default.
- W2320055370 cites W2063886791 @default.
- W2320055370 cites W2065628652 @default.
- W2320055370 cites W2078133391 @default.
- W2320055370 cites W2081159460 @default.
- W2320055370 cites W2083009199 @default.
- W2320055370 cites W2086159672 @default.
- W2320055370 cites W2093657571 @default.
- W2320055370 cites W2099996342 @default.
- W2320055370 cites W2102662094 @default.
- W2320055370 cites W2106784956 @default.
- W2320055370 cites W2118512515 @default.
- W2320055370 cites W2123540673 @default.
- W2320055370 cites W2124696691 @default.
- W2320055370 cites W2124991701 @default.
- W2320055370 cites W2128175348 @default.
- W2320055370 cites W2135319224 @default.
- W2320055370 cites W2146879413 @default.
- W2320055370 cites W2149568574 @default.
- W2320055370 cites W2166828497 @default.
- W2320055370 cites W2169678694 @default.
- W2320055370 cites W2170402416 @default.
- W2320055370 cites W2170790503 @default.
- W2320055370 cites W2949385885 @default.
- W2320055370 cites W2950577657 @default.
- W2320055370 cites W2953281737 @default.
- W2320055370 cites W3105621768 @default.
- W2320055370 cites W4241152695 @default.
- W2320055370 cites W4299796063 @default.
- W2320055370 doi "https://doi.org/10.1021/ct301079m" @default.
- W2320055370 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26583559" @default.
- W2320055370 hasPublicationYear "2013" @default.
- W2320055370 type Work @default.
- W2320055370 sameAs 2320055370 @default.
- W2320055370 citedByCount "13" @default.
- W2320055370 countsByYear W23200553702013 @default.
- W2320055370 countsByYear W23200553702014 @default.
- W2320055370 countsByYear W23200553702015 @default.
- W2320055370 countsByYear W23200553702017 @default.
- W2320055370 countsByYear W23200553702018 @default.
- W2320055370 countsByYear W23200553702020 @default.
- W2320055370 countsByYear W23200553702021 @default.
- W2320055370 countsByYear W23200553702022 @default.
- W2320055370 crossrefType "journal-article" @default.
- W2320055370 hasAuthorship W2320055370A5010495926 @default.
- W2320055370 hasAuthorship W2320055370A5013870582 @default.
- W2320055370 hasAuthorship W2320055370A5037410384 @default.
- W2320055370 hasAuthorship W2320055370A5066929221 @default.
- W2320055370 hasConcept C109718341 @default.
- W2320055370 hasConcept C11413529 @default.
- W2320055370 hasConcept C126255220 @default.
- W2320055370 hasConcept C177264268 @default.
- W2320055370 hasConcept C199360897 @default.
- W2320055370 hasConcept C33923547 @default.
- W2320055370 hasConcept C40128228 @default.
- W2320055370 hasConcept C41008148 @default.