Modeling of Carbohydrate Binding Modules Complexed to Cellulose: Abstract No. ENFL-647

Research output: Contribution to conferencePaper

Abstract

Modeling results are presented for the interaction of two carbohydrate binding modules (CBMs) with cellulose. The family 1 CBM from Trichoderma reesei's Cel7A cellulase was modeled using molecular dynamics to confirm that this protein selectively binds to the hydrophobic (100) surface of cellulose fibrils and to determine the energetics and mechanisms for locating this surface. Modeling was alsoconducted of binding of the family 4 CBM from the CbhA complex from Clostridium thermocellum. There is a cleft in this protein, which may accommodate a cellulose chain that is detached from crystalline cellulose. This possibility is explored using molecular dynamics.
Original languageAmerican English
StatePublished - 2012
EventAmerican Chemical Society. 244th ACS National Meeting - Philadelphia, Pennsylvania
Duration: 19 Aug 201223 Aug 2012

Conference

ConferenceAmerican Chemical Society. 244th ACS National Meeting
CityPhiladelphia, Pennsylvania
Period19/08/1223/08/12

NREL Publication Number

  • NREL/CP-5100-56573

Fingerprint

Dive into the research topics of 'Modeling of Carbohydrate Binding Modules Complexed to Cellulose: Abstract No. ENFL-647'. Together they form a unique fingerprint.

Cite this