Advanced Materials · 2016 · 54 citations · 252 references
EngineeringBiotechnologyChemical EngineeringBiocatalysisBiochemical EngineeringEnzymologyBiocatalyst EngineeringBiofuel ProductionBioreaction EngineeringComputational Enzyme DesignIndustrial BiocatalysisMicrobial BiocatalysisCellulase EnzymesCellulose ConversionLignocellulose BreakdownLignocellulose DecompositionLignocellulose DegradationNanoscale Materials CharacterizationRational DesignWaste Biomass Conversion
Biocatalysts showcase the upper limit obtainable for high-speed molecular processing and transformation. Efforts to engineer functionality in synthetic nanostructured materials are guided by the increasing knowledge of evolving architectures, which enable controlled molecular motion and precise molecular recognition. The cellulosome is a biological nanomachine, which, as a fundamental component of the plant-digestion machinery from bacterial cells, has a key potential role in the successful development of environmentally-friendly processes to produce biofuels and fine chemicals from the breakdown of biomass waste. Here, the progress toward so-called "designer cellulosomes", which provide an elegant alternative to enzyme cocktails for lignocellulose breakdown, is reviewed. Particular attention is paid to rational design via computational modeling coupled with nanoscale characterization and engineering tools. Remaining challenges and potential routes to industrial application are put forward.
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VMD: Visual molecular dynamics
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Scalable molecular dynamics with NAMD
J. C. Phillips, Rosemary Braun, Wei Wang et al. · Journal of Computational Chemistry · 2005 · 17.4K citations · Full text
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