Matches in SemOpenAlex for { <https://semopenalex.org/work/W2034932847> ?p ?o ?g. }
- W2034932847 endingPage "104" @default.
- W2034932847 startingPage "97" @default.
- W2034932847 abstract "Protein structure prediction directly from sequences is a very challenging problem in computational biology. One of the most successful approaches employs stochastic conformational sampling to search an empirically derived energy function landscape for the global energy minimum state. Due to the errors in the empirically derived energy function, the lowest energy conformation may not be the best model. We have evaluated the use of energy calculated by the fragment molecular orbital method (FMO energy) to assess the quality of predicted models and its ability to identify the best model among an ensemble of predicted models. The fragment molecular orbital method implemented in GAMESS was used to calculate the FMO energy of predicted models. When tested on eight protein targets, we found that the model ranking based on FMO energies is better than that based on empirically derived energies when there is sufficient diversity among these models. This model diversity can be estimated prior to the FMO energy calculations. Our result demonstrates that the FMO energy calculated by the fragment molecular orbital method is a practical and promising measure for the assessment of protein model quality and the selection of the best protein model among many generated." @default.
- W2034932847 created "2016-06-24" @default.
- W2034932847 creator A5005612122 @default.
- W2034932847 creator A5014689092 @default.
- W2034932847 creator A5042952327 @default.
- W2034932847 creator A5044307373 @default.
- W2034932847 creator A5048041926 @default.
- W2034932847 date "2015-02-01" @default.
- W2034932847 modified "2023-09-25" @default.
- W2034932847 title "Quality Assessment of Predicted Protein Models Using Energies Calculated by the Fragment Molecular Orbital Method" @default.
- W2034932847 cites W1501974651 @default.
- W2034932847 cites W1548178570 @default.
- W2034932847 cites W1621558467 @default.
- W2034932847 cites W1956663338 @default.
- W2034932847 cites W1964357583 @default.
- W2034932847 cites W1965935110 @default.
- W2034932847 cites W1967000189 @default.
- W2034932847 cites W1969644422 @default.
- W2034932847 cites W1971699116 @default.
- W2034932847 cites W1981172417 @default.
- W2034932847 cites W1990105553 @default.
- W2034932847 cites W1995970359 @default.
- W2034932847 cites W1998199521 @default.
- W2034932847 cites W1998613783 @default.
- W2034932847 cites W2001758548 @default.
- W2034932847 cites W2002150668 @default.
- W2034932847 cites W2013792107 @default.
- W2034932847 cites W2022950330 @default.
- W2034932847 cites W2033777798 @default.
- W2034932847 cites W2036297279 @default.
- W2034932847 cites W2040881916 @default.
- W2034932847 cites W2043812656 @default.
- W2034932847 cites W2044591029 @default.
- W2034932847 cites W2052070468 @default.
- W2034932847 cites W2052963427 @default.
- W2034932847 cites W2060108460 @default.
- W2034932847 cites W2062891958 @default.
- W2034932847 cites W2067516565 @default.
- W2034932847 cites W2069088519 @default.
- W2034932847 cites W2073773252 @default.
- W2034932847 cites W2074204869 @default.
- W2034932847 cites W2076905564 @default.
- W2034932847 cites W2088557890 @default.
- W2034932847 cites W2089401955 @default.
- W2034932847 cites W2092157292 @default.
- W2034932847 cites W2092995112 @default.
- W2034932847 cites W2093271940 @default.
- W2034932847 cites W2095227025 @default.
- W2034932847 cites W2102245393 @default.
- W2034932847 cites W2107538253 @default.
- W2034932847 cites W2113770791 @default.
- W2034932847 cites W2114115133 @default.
- W2034932847 cites W2115540209 @default.
- W2034932847 cites W2118233996 @default.
- W2034932847 cites W2120230374 @default.
- W2034932847 cites W2126630948 @default.
- W2034932847 cites W2130672128 @default.
- W2034932847 cites W2131197116 @default.
- W2034932847 cites W2134607638 @default.
- W2034932847 cites W2138209850 @default.
- W2034932847 cites W2140588153 @default.
- W2034932847 cites W2146134187 @default.
- W2034932847 cites W2154042463 @default.
- W2034932847 cites W2154106236 @default.
- W2034932847 cites W2161151688 @default.
- W2034932847 cites W2167661287 @default.
- W2034932847 cites W2171559274 @default.
- W2034932847 cites W2322280941 @default.
- W2034932847 cites W2323562486 @default.
- W2034932847 cites W2488270228 @default.
- W2034932847 cites W4243518718 @default.
- W2034932847 doi "https://doi.org/10.1002/minf.201400108" @default.
- W2034932847 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/27490032" @default.
- W2034932847 hasPublicationYear "2015" @default.
- W2034932847 type Work @default.
- W2034932847 sameAs 2034932847 @default.
- W2034932847 citedByCount "11" @default.
- W2034932847 countsByYear W20349328472016 @default.
- W2034932847 countsByYear W20349328472017 @default.
- W2034932847 countsByYear W20349328472018 @default.
- W2034932847 countsByYear W20349328472019 @default.
- W2034932847 countsByYear W20349328472020 @default.
- W2034932847 countsByYear W20349328472021 @default.
- W2034932847 crossrefType "journal-article" @default.
- W2034932847 hasAuthorship W2034932847A5005612122 @default.
- W2034932847 hasAuthorship W2034932847A5014689092 @default.
- W2034932847 hasAuthorship W2034932847A5042952327 @default.
- W2034932847 hasAuthorship W2034932847A5044307373 @default.
- W2034932847 hasAuthorship W2034932847A5048041926 @default.
- W2034932847 hasConcept C105302883 @default.
- W2034932847 hasConcept C11413529 @default.
- W2034932847 hasConcept C121332964 @default.
- W2034932847 hasConcept C121864883 @default.
- W2034932847 hasConcept C139358910 @default.
- W2034932847 hasConcept C14036430 @default.
- W2034932847 hasConcept C147597530 @default.
- W2034932847 hasConcept C185592680 @default.
- W2034932847 hasConcept C186060115 @default.