Abstract
The structures of four integral membrane proteins from the Mycobacterium tuberculosis (TB) gene, Rv2433c, Rv1861, Rv1616, and Rv3069, have been de novo predicted by combining a generalized Born implicit solvent/membrane model with replica exchange molecular dynamics simulations to sample the conformational space of each protein.
Publication types
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Research Support, N.I.H., Extramural
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Research Support, U.S. Gov't, Non-P.H.S.
MeSH terms
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Algorithms
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Amino Acid Motifs
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Computational Biology*
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Computer Simulation*
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Magnetic Resonance Spectroscopy
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Membrane Proteins / chemistry*
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Mycobacterium tuberculosis / chemistry*
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Protein Binding
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Protein Conformation
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Thermodynamics