A role for both conformational selection and induced fit in ligand binding by the LAO protein.
Molecular recognition is determined by the structure and dynamics of both a protein and its ligand, but it is difficult to directly assess the role of each of these players. In this study, we use Markov State Models (MSMs) built from atomistic simulations to elucidate the mechanism by which the Lysi...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Public Library of Science (PLoS)
2011-05-01
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| Series: | PLoS Computational Biology |
| Online Access: | http://europepmc.org/articles/PMC3102756?pdf=render |