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dc.contributor.authorDahanayake, Jayangika Niroshani
dc.contributor.authorMitchell-Koch, Katie R.
dc.date.accessioned2015-03-26T18:29:04Z
dc.date.available2015-03-26T18:29:04Z
dc.date.issued2014-08-10
dc.identifier.citationDahanayake, Jayangika Niroshani; Mitchell-Koch, Katie R. 2014. Analysis of enzyme and solvent dynamics of Candida antarctica lipase B in non-aqueous solvents using molecular dynamics simulations. Abstracts of Papers of the American Chemical Society, Volume: 248 Meeting Abstract: 477-PHYSen_US
dc.identifier.issn0065-7727
dc.identifier.otherWOS:000349167404194
dc.identifier.urihttp://hdl.handle.net/10057/11167
dc.descriptionPresented at the 248th National Meeting of the American Chemical Society (ACS), San Francisco, California on August 13, 2014.en_US
dc.description.abstractSolvents play a major role in changing biomolecule structure, dynamics and functions. The main objective of this project is to use molecular dynamics simulations to shed light on enzyme-solvent interactions between Candida antarctica lipase B and non-aqueous solvents. The enzyme studied, Candida antarctica lipase B, has applications in industrial-scale synthesis and has been shown to be highly promiscuous and solvent compatible. Presented here are molecular dynamics studies of Candida antarctica lipase B enzyme with n-butanol and acetonitrile solvents using GROMACS software. These simulation results are an important step in understanding how this enzyme changes its structural, dynamical and functional properties in the presence of these non-aqueous solvents.en_US
dc.language.isoen_USen_US
dc.publisherAmerican Chemical Societyen_US
dc.relation.ispartofseriesAbstracts of Papers of the American Chemical Society;248
dc.titleAnalysis of enzyme and solvent dynamics of Candida antarctica lipase B in non-aqueous solvents using molecular dynamics simulationsen_US
dc.typeAbstracten_US
dc.rights.holderCopyright © 2015 American Chemical Society


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