FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2046375526> ?p ?o ?g. }

• W2046375526 endingPage "1286" @default.
• W2046375526 startingPage "1271" @default.
• W2046375526 abstract "Abstract A Monte Carlo simulated annealing (MCSA) algorithm was used to generate the conformations of local regions in bovine pancreatic trypsin inhibitor (BPTI) starting from random initial conformations. In the approach explored, only the conformation of the segment is computed; the rest of the protein is fixed in the known native conformation. Rather than follow a single simulation exhaustively, computer time is better used by performing multiple independent MCSA simulations in which different starting temperatures are employed and the number of conformations sampled is varied. The best computed conformation is chosen on the basis of lowest total energy and refined further. The total energy used in the annealing is the sum of the intrasegment energy, the interaction energy of the segment with the local surrounding region, and a distance constraint to generate a smooth connection of the initially randomized segment with the rest of the protein. The rms deviations between the main‐chain conformations of the computed segments in BPTI and those of the native x‐ray structure are 0.94 Å for a 5‐residue α‐helical segment, 1.11 Å for a 5‐residue β‐strand segment, and 1.03, 1.61, and 1.87 Ã for 5‐, 7‐, and 9‐residue loop segments. Side‐chain deviations are comparable to the main‐chain deviations for those side chains that interact strongly with the fixed part of the protein. A detailed view of the deviations at an atom‐resolved level is obtained by comparing the predicted segments with their known conformations in the crystal structure of BPTI. These results emphasize the value of predetermined fixed structure against which the computed segment can nest. © 1993 John Wiley & Sons, Inc." @default.
• W2046375526 created "2016-06-24" @default.
• W2046375526 creator A5014054770 @default.
• W2046375526 creator A5048208961 @default.
• W2046375526 date "1993-08-01" @default.
• W2046375526 modified "2023-10-17" @default.
• W2046375526 title "The loop problem in proteins: A monte carlo simulated annealing approach" @default.
• W2046375526 cites W1591554765 @default.
• W2046375526 cites W1966041739 @default.
• W2046375526 cites W1971853518 @default.
• W2046375526 cites W1975218821 @default.
• W2046375526 cites W1975276582 @default.
• W2046375526 cites W1975914851 @default.
• W2046375526 cites W1981069567 @default.
• W2046375526 cites W1988711739 @default.
• W2046375526 cites W2000268167 @default.
• W2046375526 cites W2001130582 @default.
• W2046375526 cites W2002797170 @default.
• W2046375526 cites W2003331005 @default.
• W2046375526 cites W2019476648 @default.
• W2046375526 cites W2024060531 @default.
• W2046375526 cites W2025097019 @default.
• W2046375526 cites W2026474655 @default.
• W2046375526 cites W2028396848 @default.
• W2046375526 cites W2054243594 @default.
• W2046375526 cites W2056760934 @default.
• W2046375526 cites W2062972508 @default.
• W2046375526 cites W2066118904 @default.
• W2046375526 cites W2069297570 @default.
• W2046375526 cites W2076694118 @default.
• W2046375526 cites W2077710118 @default.
• W2046375526 cites W2079589162 @default.
• W2046375526 cites W2080829141 @default.
• W2046375526 cites W2081102369 @default.
• W2046375526 cites W2109836082 @default.
• W2046375526 cites W2110810808 @default.
• W2046375526 cites W2114621223 @default.
• W2046375526 cites W2136373084 @default.
• W2046375526 cites W2312945911 @default.
• W2046375526 cites W2997715027 @default.
• W2046375526 cites W39947340 @default.
• W2046375526 cites W4230223507 @default.
• W2046375526 cites W4235645429 @default.
• W2046375526 cites W4242940514 @default.
• W2046375526 cites W4376542635 @default.
• W2046375526 doi "https://doi.org/10.1002/bip.360330812" @default.
• W2046375526 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/7689864" @default.
• W2046375526 hasPublicationYear "1993" @default.
• W2046375526 type Work @default.
• W2046375526 sameAs 2046375526 @default.
• W2046375526 citedByCount "33" @default.
• W2046375526 countsByYear W20463755262012 @default.
• W2046375526 countsByYear W20463755262015 @default.
• W2046375526 countsByYear W20463755262016 @default.
• W2046375526 countsByYear W20463755262019 @default.
• W2046375526 countsByYear W20463755262022 @default.
• W2046375526 crossrefType "journal-article" @default.
• W2046375526 hasAuthorship W2046375526A5014054770 @default.
• W2046375526 hasAuthorship W2046375526A5048208961 @default.
• W2046375526 hasBestOaLocation W20463755262 @default.
• W2046375526 hasConcept C105795698 @default.
• W2046375526 hasConcept C11413529 @default.
• W2046375526 hasConcept C121332964 @default.
• W2046375526 hasConcept C121864883 @default.
• W2046375526 hasConcept C126980161 @default.
• W2046375526 hasConcept C185592680 @default.
• W2046375526 hasConcept C19499675 @default.
• W2046375526 hasConcept C33923547 @default.
• W2046375526 hasConcept C8010536 @default.
• W2046375526 hasConceptScore W2046375526C105795698 @default.
• W2046375526 hasConceptScore W2046375526C11413529 @default.
• W2046375526 hasConceptScore W2046375526C121332964 @default.
• W2046375526 hasConceptScore W2046375526C121864883 @default.
• W2046375526 hasConceptScore W2046375526C126980161 @default.
• W2046375526 hasConceptScore W2046375526C185592680 @default.
• W2046375526 hasConceptScore W2046375526C19499675 @default.
• W2046375526 hasConceptScore W2046375526C33923547 @default.
• W2046375526 hasConceptScore W2046375526C8010536 @default.
• W2046375526 hasIssue "8" @default.
• W2046375526 hasLocation W20463755261 @default.
• W2046375526 hasLocation W20463755262 @default.
• W2046375526 hasLocation W20463755263 @default.
• W2046375526 hasOpenAccess W2046375526 @default.
• W2046375526 hasPrimaryLocation W20463755261 @default.
• W2046375526 hasRelatedWork W1531601525 @default.
• W2046375526 hasRelatedWork W2005266888 @default.
• W2046375526 hasRelatedWork W2384464875 @default.
• W2046375526 hasRelatedWork W2606230654 @default.
• W2046375526 hasRelatedWork W2607424097 @default.
• W2046375526 hasRelatedWork W2748952813 @default.
• W2046375526 hasRelatedWork W2899084033 @default.
• W2046375526 hasRelatedWork W2948807893 @default.
• W2046375526 hasRelatedWork W4387497383 @default.
• W2046375526 hasRelatedWork W2778153218 @default.
• W2046375526 hasVolume "33" @default.
• W2046375526 isParatext "false" @default.
• W2046375526 isRetracted "false" @default.
• W2046375526 magId "2046375526" @default.

• next