Computational microbiology of bacteria: Advancements in molecular dynamics simulations
Syma Khalid, Astrid F. Brandner, Nikolai Juraschko, Kahlan E. Newman, Conrado Pedebos, Dheeraj Prakaash, Iain P. S. Smith, Callum Waller, Dhanushka Weerakoon
Abstract
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.
Topics & Concepts
Context (archaeology)Molecular dynamicsComputational biologyBridging (networking)Clinical microbiologyComputer scienceBiologyMicrobiologyChemistryComputational chemistryPaleontologyComputer networkGenomics and Phylogenetic StudiesProtein Structure and DynamicsBacteriophages and microbial interactions