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- W3111570204 abstract "We present Swarm-CG, a versatile software for the automatic iterative parametrization of bonded parameters in coarse-grained (CG) models, ideal in combination with popular CG force fields such as MARTINI. By coupling fuzzy self-tuning particle swarm optimization to Boltzmann inversion, Swarm-CG performs accurate bottom-up parametrization of bonded terms in CG models composed of up to 200 pseudo atoms within 4–24 h on standard desktop machines, using default settings. The software benefits from a user-friendly interface and two different usage modes (default and advanced). We particularly expect Swarm-CG to support and facilitate the development of new CG models for the study of complex molecular systems interesting for bio- and nanotechnology. Excellent performances are demonstrated using a benchmark of 9 molecules of diverse nature, structural complexity, and size. Swarm-CG is available with all its dependencies via the Python Package Index (PIP package: swarm-cg). Demonstration data are available at: www.github.com/GMPavanLab/SwarmCG." @default.
- W3111570204 created "2020-12-21" @default.
- W3111570204 creator A5002166652 @default.
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- W3111570204 creator A5078953822 @default.
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- W3111570204 date "2020-12-07" @default.
- W3111570204 modified "2023-10-16" @default.
- W3111570204 title "<i>Swarm-CG</i>: Automatic Parametrization of Bonded Terms in MARTINI-Based Coarse-Grained Models of Simple to Complex Molecules <i>via</i> Fuzzy Self-Tuning Particle Swarm Optimization" @default.
- W3111570204 cites W1031578623 @default.
- W3111570204 cites W1559169059 @default.
- W3111570204 cites W1597026028 @default.
- W3111570204 cites W1806547840 @default.
- W3111570204 cites W1826324849 @default.
- W3111570204 cites W1963731008 @default.
- W3111570204 cites W1965404941 @default.
- W3111570204 cites W1965838279 @default.
- W3111570204 cites W1966868696 @default.
- W3111570204 cites W1972342797 @default.
- W3111570204 cites W1975017420 @default.
- W3111570204 cites W1976499671 @default.
- W3111570204 cites W1978215757 @default.
- W3111570204 cites W1981021420 @default.
- W3111570204 cites W1981436290 @default.
- W3111570204 cites W1983382833 @default.
- W3111570204 cites W1986356457 @default.
- W3111570204 cites W1990242519 @default.
- W3111570204 cites W1992191950 @default.
- W3111570204 cites W1993177346 @default.
- W3111570204 cites W1994486848 @default.
- W3111570204 cites W2002480191 @default.
- W3111570204 cites W2004991443 @default.
- W3111570204 cites W2007872320 @default.
- W3111570204 cites W2009500363 @default.
- W3111570204 cites W2009997795 @default.
- W3111570204 cites W2011227971 @default.
- W3111570204 cites W2012655907 @default.
- W3111570204 cites W2013145865 @default.
- W3111570204 cites W2028805274 @default.
- W3111570204 cites W2032277302 @default.
- W3111570204 cites W2033570280 @default.
- W3111570204 cites W2039226949 @default.
- W3111570204 cites W2043934961 @default.
- W3111570204 cites W2045430232 @default.
- W3111570204 cites W2047328569 @default.
- W3111570204 cites W2047796232 @default.
- W3111570204 cites W2049286183 @default.
- W3111570204 cites W2051864856 @default.
- W3111570204 cites W2057806291 @default.
- W3111570204 cites W2059121391 @default.
- W3111570204 cites W2060174126 @default.
- W3111570204 cites W2061029238 @default.
- W3111570204 cites W2061042170 @default.
- W3111570204 cites W2061308254 @default.
- W3111570204 cites W2065148800 @default.
- W3111570204 cites W2066757980 @default.
- W3111570204 cites W2068625979 @default.
- W3111570204 cites W2069032838 @default.
- W3111570204 cites W2070905182 @default.
- W3111570204 cites W2081724315 @default.
- W3111570204 cites W2088791045 @default.
- W3111570204 cites W2091706346 @default.
- W3111570204 cites W2095530874 @default.
- W3111570204 cites W2113094759 @default.
- W3111570204 cites W2113617538 @default.
- W3111570204 cites W2114711439 @default.
- W3111570204 cites W2114711900 @default.
- W3111570204 cites W2119267663 @default.
- W3111570204 cites W2127881473 @default.
- W3111570204 cites W2130016462 @default.
- W3111570204 cites W2136815817 @default.
- W3111570204 cites W2140198941 @default.
- W3111570204 cites W2142532813 @default.
- W3111570204 cites W2146821070 @default.
- W3111570204 cites W2147993766 @default.
- W3111570204 cites W2149655632 @default.
- W3111570204 cites W2155430461 @default.
- W3111570204 cites W2156238280 @default.
- W3111570204 cites W2158192206 @default.
- W3111570204 cites W2159565091 @default.
- W3111570204 cites W2168206768 @default.
- W3111570204 cites W2170193142 @default.
- W3111570204 cites W2170711116 @default.
- W3111570204 cites W2315744487 @default.
- W3111570204 cites W2321232808 @default.
- W3111570204 cites W2322020083 @default.
- W3111570204 cites W2325376314 @default.
- W3111570204 cites W2326506273 @default.
- W3111570204 cites W2332360555 @default.
- W3111570204 cites W2333430063 @default.
- W3111570204 cites W2338459897 @default.
- W3111570204 cites W2408013179 @default.
- W3111570204 cites W2409866020 @default.
- W3111570204 cites W2462510306 @default.
- W3111570204 cites W2491008760 @default.