Matches in SemOpenAlex for { <https://semopenalex.org/work/W2100056395> ?p ?o ?g. }
- W2100056395 endingPage "671" @default.
- W2100056395 startingPage "657" @default.
- W2100056395 abstract "We present Hydrogen Dynamics (HYDYN), a method that allows explicit proton transfer in classical force field molecular dynamics simulations at thermodynamic equilibrium. HYDYN reproduces the characteristic properties of the excess proton in water, from the special pair dance, to the continuous fluctuation between the limiting Eigen and Zundel complexes, and the water reorientation beyond the first solvation layer. Advantages of HYDYN with respect to existing methods are computational efficiency, microscopic reversibility, and easy parameterization for any force field. © 2014 Wiley Periodicals, Inc." @default.
- W2100056395 created "2016-06-24" @default.
- W2100056395 creator A5055771695 @default.
- W2100056395 creator A5070936021 @default.
- W2100056395 date "2014-02-05" @default.
- W2100056395 modified "2023-10-17" @default.
- W2100056395 title "Explicit proton transfer in classical molecular dynamics simulations" @default.
- W2100056395 cites W1546288078 @default.
- W2100056395 cites W1576668315 @default.
- W2100056395 cites W1966078827 @default.
- W2100056395 cites W1967800787 @default.
- W2100056395 cites W1970769674 @default.
- W2100056395 cites W1970823121 @default.
- W2100056395 cites W1970973025 @default.
- W2100056395 cites W1971275758 @default.
- W2100056395 cites W1973869488 @default.
- W2100056395 cites W1975708211 @default.
- W2100056395 cites W1975834451 @default.
- W2100056395 cites W1976106600 @default.
- W2100056395 cites W1976499671 @default.
- W2100056395 cites W1978120156 @default.
- W2100056395 cites W1987677470 @default.
- W2100056395 cites W1990208157 @default.
- W2100056395 cites W1992787119 @default.
- W2100056395 cites W1993077801 @default.
- W2100056395 cites W1993263159 @default.
- W2100056395 cites W1997630751 @default.
- W2100056395 cites W1998297022 @default.
- W2100056395 cites W1999272564 @default.
- W2100056395 cites W2005006118 @default.
- W2100056395 cites W2006395248 @default.
- W2100056395 cites W2007950381 @default.
- W2100056395 cites W2009198344 @default.
- W2100056395 cites W2013445483 @default.
- W2100056395 cites W2015656186 @default.
- W2100056395 cites W2015723937 @default.
- W2100056395 cites W2022696619 @default.
- W2100056395 cites W2023271753 @default.
- W2100056395 cites W2023628624 @default.
- W2100056395 cites W2025554319 @default.
- W2100056395 cites W2026509698 @default.
- W2100056395 cites W2031732691 @default.
- W2100056395 cites W2034815131 @default.
- W2100056395 cites W2035266068 @default.
- W2100056395 cites W2035687084 @default.
- W2100056395 cites W2039263184 @default.
- W2100056395 cites W2039517674 @default.
- W2100056395 cites W2044940178 @default.
- W2100056395 cites W2046001409 @default.
- W2100056395 cites W2046267531 @default.
- W2100056395 cites W2049475242 @default.
- W2100056395 cites W2049996223 @default.
- W2100056395 cites W2052955745 @default.
- W2100056395 cites W2055036655 @default.
- W2100056395 cites W2057477511 @default.
- W2100056395 cites W2061042214 @default.
- W2100056395 cites W2065096041 @default.
- W2100056395 cites W2067174909 @default.
- W2100056395 cites W2069006374 @default.
- W2100056395 cites W2073843097 @default.
- W2100056395 cites W2077973224 @default.
- W2100056395 cites W2079372760 @default.
- W2100056395 cites W2080618037 @default.
- W2100056395 cites W2082099376 @default.
- W2100056395 cites W2082701790 @default.
- W2100056395 cites W2084628727 @default.
- W2100056395 cites W2086786922 @default.
- W2100056395 cites W2086957099 @default.
- W2100056395 cites W2089495268 @default.
- W2100056395 cites W2089912052 @default.
- W2100056395 cites W2091322339 @default.
- W2100056395 cites W2094516606 @default.
- W2100056395 cites W2095173881 @default.
- W2100056395 cites W2095363688 @default.
- W2100056395 cites W2104690476 @default.
- W2100056395 cites W2106140689 @default.
- W2100056395 cites W2110383696 @default.
- W2100056395 cites W2116223045 @default.
- W2100056395 cites W2122020716 @default.
- W2100056395 cites W2127336290 @default.
- W2100056395 cites W2128824543 @default.
- W2100056395 cites W2132001271 @default.
- W2100056395 cites W2143981217 @default.
- W2100056395 cites W2146462263 @default.
- W2100056395 cites W2148941593 @default.
- W2100056395 cites W2155358697 @default.
- W2100056395 cites W2164318957 @default.
- W2100056395 cites W2168155871 @default.
- W2100056395 cites W2170681123 @default.
- W2100056395 cites W2314127898 @default.
- W2100056395 cites W2317028411 @default.
- W2100056395 cites W2333022878 @default.
- W2100056395 doi "https://doi.org/10.1002/jcc.23536" @default.
- W2100056395 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24497402" @default.
- W2100056395 hasPublicationYear "2014" @default.
- W2100056395 type Work @default.
- W2100056395 sameAs 2100056395 @default.
- W2100056395 citedByCount "39" @default.