What is being modeled?
Silk and Silk-elastin-like proteins (SELPs)
Description & purpose of resource
Silk project;
-Replica exchange molecular dynamics is used to develop a structure for the silk chimeras.
-MD is also used to explain the change in integrin folding associated with its activation due to interactions with inorganic surfaces
Silk elastin project:
- Replica exchange molecular dynamics to guide design of elastin domains in SELPs (silk elastin like proteins)
Spatial scales
molecular
Temporal scales
<10-6 s (chemical reactions)
This resource is currently
under early-stage development
mature and useful in ongoing research
Link to Resource Credibility Assessment
DOI link to publication describing this resource
Simulations: DOI: 10.1002/adfm.201702570 / DOI: 10.1002/adfm.201600236;
Results: DOI: 10.1002/adfm.201702570 / DOI: 10.1002/adfm.201600236;
Implications of results: DOI: 10.1002/adfm.201702570 / DOI: 10.1002/adfm.201600236.
Collaborators
Markus Buehler, David Kaplan
PI contact information
mbuehler@mit.edu, david.kaplan@tufts.edu
Keywords
MSM U01
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