FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2022251008> ?p ?o ?g. }

• W2022251008 endingPage "702" @default.
• W2022251008 startingPage "692" @default.
• W2022251008 abstract "The translocation of nucleotide molecules across biological and synthetic nanopores has attracted attention as a next generation technique for sequencing DNA. Computer simulations have the ability to provide atomistic‐level insight into important states and processes, delivering a means to develop a fundamental understanding of the translocation event, for example, by extracting the free energy of the process. Even with current supercomputing facilities, the simulation of many‐atom systems in fine detail is limited to shorter timescales than the real events they attempt to recreate. This imposes the need for enhanced simulation techniques that expand the scope of investigation in a given timeframe. There are numerous free energy calculation and translocation methodologies available, and it is by no means clear which method is best applied to a particular problem. This article explores the use of two popular free energy calculation methodologies in a nucleotide‐nanopore translocation system, using the α‐hemolysin nanopore. The first uses constant velocity‐steered molecular dynamics (cv‐SMD) in conjunction with Jarzynski's equality. The second applies an adaptive biasing force (ABF), which has not previously been applied to the nucleotide‐nanpore system. The purpose of this study is to provide a comprehensive comparison of these methodologies, allowing for a detailed comparative assessment of the scientific merits, the computational cost, and the statistical quality of the data obtained from each technique. We find that the ABF method produces results that are closer to experimental measurements than those from cv‐SMD, whereas the net errors are smaller for the same computational cost. © 2014 The Authors Journal of Computational Chemistry Published by Wiley Periodicals, Inc." @default.
• W2022251008 created "2016-06-24" @default.
• W2022251008 creator A5038763846 @default.
• W2022251008 creator A5066453821 @default.
• W2022251008 creator A5067143116 @default.
• W2022251008 date "2014-01-09" @default.
• W2022251008 modified "2023-10-16" @default.
• W2022251008 title "Comparative analysis of nucleotide translocation through protein nanopores using steered molecular dynamics and an adaptive biasing force" @default.
• W2022251008 cites W1482044830 @default.
• W2022251008 cites W1606920356 @default.
• W2022251008 cites W1971212710 @default.
• W2022251008 cites W1976579475 @default.
• W2022251008 cites W1978941223 @default.
• W2022251008 cites W1982898268 @default.
• W2022251008 cites W1983080100 @default.
• W2022251008 cites W1987290003 @default.
• W2022251008 cites W1990601349 @default.
• W2022251008 cites W1992390858 @default.
• W2022251008 cites W1997545992 @default.
• W2022251008 cites W2004563570 @default.
• W2022251008 cites W2014574246 @default.
• W2022251008 cites W2025583382 @default.
• W2022251008 cites W2027009369 @default.
• W2022251008 cites W2031232438 @default.
• W2022251008 cites W2060452207 @default.
• W2022251008 cites W2067049923 @default.
• W2022251008 cites W2075777353 @default.
• W2022251008 cites W2078884016 @default.
• W2022251008 cites W2093381148 @default.
• W2022251008 cites W2099446866 @default.
• W2022251008 cites W2103815459 @default.
• W2022251008 cites W2108058966 @default.
• W2022251008 cites W2114524505 @default.
• W2022251008 cites W2121166240 @default.
• W2022251008 cites W2125021618 @default.
• W2022251008 cites W2127407003 @default.
• W2022251008 cites W2149655632 @default.
• W2022251008 cites W2149801992 @default.
• W2022251008 cites W2150981663 @default.
• W2022251008 cites W2153623930 @default.
• W2022251008 cites W2167606722 @default.
• W2022251008 cites W2167788333 @default.
• W2022251008 cites W4244429993 @default.
• W2022251008 doi "https://doi.org/10.1002/jcc.23525" @default.
• W2022251008 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4274958" @default.
• W2022251008 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24403093" @default.
• W2022251008 hasPublicationYear "2014" @default.
• W2022251008 type Work @default.
• W2022251008 sameAs 2022251008 @default.
• W2022251008 citedByCount "23" @default.
• W2022251008 countsByYear W20222510082014 @default.
• W2022251008 countsByYear W20222510082015 @default.
• W2022251008 countsByYear W20222510082016 @default.
• W2022251008 countsByYear W20222510082017 @default.
• W2022251008 countsByYear W20222510082018 @default.
• W2022251008 countsByYear W20222510082019 @default.
• W2022251008 countsByYear W20222510082020 @default.
• W2022251008 countsByYear W20222510082021 @default.
• W2022251008 countsByYear W20222510082022 @default.
• W2022251008 countsByYear W20222510082023 @default.
• W2022251008 crossrefType "journal-article" @default.
• W2022251008 hasAuthorship W2022251008A5038763846 @default.
• W2022251008 hasAuthorship W2022251008A5066453821 @default.
• W2022251008 hasAuthorship W2022251008A5067143116 @default.
• W2022251008 hasBestOaLocation W20222510081 @default.
• W2022251008 hasConcept C111919701 @default.
• W2022251008 hasConcept C121332964 @default.
• W2022251008 hasConcept C141795571 @default.
• W2022251008 hasConcept C147597530 @default.
• W2022251008 hasConcept C171250308 @default.
• W2022251008 hasConcept C185592680 @default.
• W2022251008 hasConcept C186060115 @default.
• W2022251008 hasConcept C186370098 @default.
• W2022251008 hasConcept C192562407 @default.
• W2022251008 hasConcept C199360897 @default.
• W2022251008 hasConcept C2778012447 @default.
• W2022251008 hasConcept C41008148 @default.
• W2022251008 hasConcept C59593255 @default.
• W2022251008 hasConcept C62520636 @default.
• W2022251008 hasConcept C86803240 @default.
• W2022251008 hasConcept C98045186 @default.
• W2022251008 hasConceptScore W2022251008C111919701 @default.
• W2022251008 hasConceptScore W2022251008C121332964 @default.
• W2022251008 hasConceptScore W2022251008C141795571 @default.
• W2022251008 hasConceptScore W2022251008C147597530 @default.
• W2022251008 hasConceptScore W2022251008C171250308 @default.
• W2022251008 hasConceptScore W2022251008C185592680 @default.
• W2022251008 hasConceptScore W2022251008C186060115 @default.
• W2022251008 hasConceptScore W2022251008C186370098 @default.
• W2022251008 hasConceptScore W2022251008C192562407 @default.
• W2022251008 hasConceptScore W2022251008C199360897 @default.
• W2022251008 hasConceptScore W2022251008C2778012447 @default.
• W2022251008 hasConceptScore W2022251008C41008148 @default.
• W2022251008 hasConceptScore W2022251008C59593255 @default.
• W2022251008 hasConceptScore W2022251008C62520636 @default.
• W2022251008 hasConceptScore W2022251008C86803240 @default.
• W2022251008 hasConceptScore W2022251008C98045186 @default.
• W2022251008 hasIssue "9" @default.

• next