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Cover Image, Volume 40, Issue 21
Publication year - 2019
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.25431
Subject(s) - citation , computer science , cover (algebra) , volume (thermodynamics) , computer graphics (images) , library science , physics , engineering , mechanical engineering , quantum mechanics
On page 1919, Karissa Sanbonmatsu, Anna Lappala and colleagues present a record‐breaking billion atom simulation of the GATA4 gene locus. This study represents the first atomistic simulation of an entire gene. The simulations were performed on the TRINITY supercomputer at Los Alamos National Laboratory using GENESIS molecular dynamics software. This pioneering work opens a new direction of large‐scale atomistic simulations in biology. DOI: 10.1002/jcc.25840