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 language | American English |
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State | Published - 2012 |
Event | American Chemical Society. 244th ACS National Meeting - Philadelphia, Pennsylvania Duration: 19 Aug 2012 → 23 Aug 2012 |
Conference
Conference | American Chemical Society. 244th ACS National Meeting |
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City | Philadelphia, Pennsylvania |
Period | 19/08/12 → 23/08/12 |
NREL Publication Number
- NREL/CP-5100-56573