作者
Syma Khalid, Astrid F. Brandner, Nikolai Juraschko, Kahlan E. Newman, Conrado Pedebos, Dheeraj Prakaash, Iain P.S. Smith, Callum Waller, Dhanushka Weerakoon
发表日期
2023/11/2
期刊
Structure
卷号
31
期号
11
页码范围
1320-1327
简介
Microbiology is traditionally considered within the context of wet laboratory methodologies. Computational techniques have a great potential to contribute to microbiology. Here, we describe our loose definition of "computational microbiology" and provide a short survey focused on molecular dynamics simulations of bacterial systems that fall within this definition. It is our contention that increased compositional complexity and realistic levels of molecular crowding within simulated systems are key for bridging the divide between experimental and computational microbiology.
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