Matches in SemOpenAlex for { <https://semopenalex.org/work/W2953016572> ?p ?o ?g. }
- W2953016572 abstract "In recent years the analysis of molecular dynamics trajectories using dimensionality reduction algorithms has become commonplace. These algorithms seek to find a low-dimensional representation of a trajectory that is, according to a well-defined criterion, optimal. A number of different strategies for generating projections of trajectories have been proposed but little has been done to systematically compare how these various approaches fare when it comes to analysing trajectories for biomolecules in explicit solvent. In the following paper, we have thus analyzed a molecular dynamics trajectory of the C-terminal fragment of the immunoglobulin binding domain B1 of protein G of Streptococcus modelled in explicit solvent using a range of different dimensionality reduction algorithms. We have then tried to systematically compare the projections generated using each of these algorithms by using a clustering algorithm to find the positions and extents of the basins in the high-dimensional energy landscape. We find that no algorithm outshines all the other in terms of the quality of the projection it generates. Instead, all the algorithms do a reasonable job when it comes to building a projection that separates some of the configurations that lie in different basins. Having said that, however, all the algorithms struggle to project the basins because they all have a large intrinsic dimensionality." @default.
- W2953016572 created "2019-06-27" @default.
- W2953016572 creator A5007941510 @default.
- W2953016572 creator A5009772769 @default.
- W2953016572 date "2019-06-19" @default.
- W2953016572 modified "2023-10-05" @default.
- W2953016572 title "Using Dimensionality Reduction to Analyze Protein Trajectories" @default.
- W2953016572 cites W142246363 @default.
- W2953016572 cites W1966078827 @default.
- W2953016572 cites W1968771164 @default.
- W2953016572 cites W1969256423 @default.
- W2953016572 cites W1975997599 @default.
- W2953016572 cites W1980782498 @default.
- W2953016572 cites W1998835042 @default.
- W2953016572 cites W2001141328 @default.
- W2953016572 cites W2001773296 @default.
- W2953016572 cites W2006192061 @default.
- W2953016572 cites W2024709330 @default.
- W2953016572 cites W2030282592 @default.
- W2953016572 cites W2031198154 @default.
- W2953016572 cites W2033745076 @default.
- W2953016572 cites W2037672122 @default.
- W2953016572 cites W2038458884 @default.
- W2953016572 cites W2051629080 @default.
- W2953016572 cites W2054762683 @default.
- W2953016572 cites W2063935375 @default.
- W2953016572 cites W2068726834 @default.
- W2953016572 cites W2077412035 @default.
- W2953016572 cites W2081231020 @default.
- W2953016572 cites W2096125044 @default.
- W2953016572 cites W2097308346 @default.
- W2953016572 cites W2097891553 @default.
- W2953016572 cites W2115617797 @default.
- W2953016572 cites W2132589721 @default.
- W2953016572 cites W2140095548 @default.
- W2953016572 cites W2141920771 @default.
- W2953016572 cites W2151784842 @default.
- W2953016572 cites W2161605421 @default.
- W2953016572 cites W2166536078 @default.
- W2953016572 cites W2167769608 @default.
- W2953016572 cites W2246932694 @default.
- W2953016572 cites W2334119975 @default.
- W2953016572 cites W2337496963 @default.
- W2953016572 cites W2570104014 @default.
- W2953016572 cites W2595314721 @default.
- W2953016572 cites W2604971487 @default.
- W2953016572 cites W2620687153 @default.
- W2953016572 cites W2771888471 @default.
- W2953016572 cites W2781487518 @default.
- W2953016572 cites W2781747605 @default.
- W2953016572 cites W2913034365 @default.
- W2953016572 cites W2962959797 @default.
- W2953016572 cites W2964149432 @default.
- W2953016572 doi "https://doi.org/10.3389/fmolb.2019.00046" @default.
- W2953016572 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6593086" @default.
- W2953016572 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31275943" @default.
- W2953016572 hasPublicationYear "2019" @default.
- W2953016572 type Work @default.
- W2953016572 sameAs 2953016572 @default.
- W2953016572 citedByCount "44" @default.
- W2953016572 countsByYear W29530165722019 @default.
- W2953016572 countsByYear W29530165722020 @default.
- W2953016572 countsByYear W29530165722021 @default.
- W2953016572 countsByYear W29530165722022 @default.
- W2953016572 countsByYear W29530165722023 @default.
- W2953016572 crossrefType "journal-article" @default.
- W2953016572 hasAuthorship W2953016572A5007941510 @default.
- W2953016572 hasAuthorship W2953016572A5009772769 @default.
- W2953016572 hasBestOaLocation W29530165721 @default.
- W2953016572 hasConcept C111030470 @default.
- W2953016572 hasConcept C111335779 @default.
- W2953016572 hasConcept C11413529 @default.
- W2953016572 hasConcept C121332964 @default.
- W2953016572 hasConcept C126255220 @default.
- W2953016572 hasConcept C1276947 @default.
- W2953016572 hasConcept C13662910 @default.
- W2953016572 hasConcept C154945302 @default.
- W2953016572 hasConcept C159985019 @default.
- W2953016572 hasConcept C17744445 @default.
- W2953016572 hasConcept C192562407 @default.
- W2953016572 hasConcept C199539241 @default.
- W2953016572 hasConcept C204323151 @default.
- W2953016572 hasConcept C2524010 @default.
- W2953016572 hasConcept C2776359362 @default.
- W2953016572 hasConcept C33923547 @default.
- W2953016572 hasConcept C41008148 @default.
- W2953016572 hasConcept C57493831 @default.
- W2953016572 hasConcept C70518039 @default.
- W2953016572 hasConcept C73555534 @default.
- W2953016572 hasConcept C94625758 @default.
- W2953016572 hasConceptScore W2953016572C111030470 @default.
- W2953016572 hasConceptScore W2953016572C111335779 @default.
- W2953016572 hasConceptScore W2953016572C11413529 @default.
- W2953016572 hasConceptScore W2953016572C121332964 @default.
- W2953016572 hasConceptScore W2953016572C126255220 @default.
- W2953016572 hasConceptScore W2953016572C1276947 @default.
- W2953016572 hasConceptScore W2953016572C13662910 @default.
- W2953016572 hasConceptScore W2953016572C154945302 @default.
- W2953016572 hasConceptScore W2953016572C159985019 @default.
- W2953016572 hasConceptScore W2953016572C17744445 @default.