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- W2953018975 endingPage "244" @default.
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- W2953018975 abstract "Computational methods are intensively applied to explore the conformational space of oligosaccharides. In this report, the current modelling protocols for the conformational analysis of carbohydrates are reviewed. Approaches which need direct input of experimental data from NMR experiments (distance mapping and restrained molecular dynamics), various systematic search strategies (uniform rotation, relaxed and adiabatic maps) and random sampling techniques (random molecular mechanics calculations and Metropolis Monte Carlo simulations) are compared. Recently, molecular dynamics simulations have begun to play a dominant role for the conformational analysis of oligosaccharides. Therefore, various commonly used molecular dynamics simulation protocols (e.g. the use of different dielectric constants, simulated annealing and high-temperature simulation protocols, inclusion of explicit solvent molecules, the choice of appropriate non-bonded interaction cut-offs) which are increasingly used to obtain information about all the accessible conformations are discussed in detail." @default.
- W2953018975 created "2019-06-27" @default.
- W2953018975 creator A5014363986 @default.
- W2953018975 creator A5035092573 @default.
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- W2953018975 date "1997-05-01" @default.
- W2953018975 modified "2023-10-16" @default.
- W2953018975 title "A (critical) survey of modelling protocols used to explore the conformational space of oligosaccharides" @default.
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- W2953018975 cites W1565638922 @default.
- W2953018975 cites W165796777 @default.
- W2953018975 cites W1680920356 @default.
- W2953018975 cites W1964536616 @default.
- W2953018975 cites W1966041739 @default.
- W2953018975 cites W1971792069 @default.
- W2953018975 cites W1973674163 @default.
- W2953018975 cites W1979137887 @default.
- W2953018975 cites W1982425963 @default.
- W2953018975 cites W1984181925 @default.
- W2953018975 cites W1985541393 @default.
- W2953018975 cites W1987352448 @default.
- W2953018975 cites W1991297990 @default.
- W2953018975 cites W1992109326 @default.
- W2953018975 cites W1995207438 @default.
- W2953018975 cites W1998930684 @default.
- W2953018975 cites W2008751704 @default.
- W2953018975 cites W2008862606 @default.
- W2953018975 cites W2010191774 @default.
- W2953018975 cites W2010356789 @default.
- W2953018975 cites W2011614021 @default.
- W2953018975 cites W2016320348 @default.
- W2953018975 cites W2016628249 @default.
- W2953018975 cites W2020943012 @default.
- W2953018975 cites W2021647329 @default.
- W2953018975 cites W2023510465 @default.
- W2953018975 cites W2033088991 @default.
- W2953018975 cites W2036926176 @default.
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- W2953018975 doi "https://doi.org/10.1016/s0166-1280(96)04953-6" @default.
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