title: De novo prediction of the structures of M. tuberculosis membrane proteins.
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.
authors.affiliation: Department of Molecular Biology and Center for Theoretical Biological Physics, Scripps Research Institute, La Jolla, California 92037, USA.
authors.forename: Lintao
authors.initials: L
authors.lastname: Bu
authors.forename: Charles L
authors.initials: CL
authors.lastname: Brooks
mesh_terms: D000465:Algorithms; D020816:Amino Acid Motifs; D019295:Computational Biology; D003198:Computer Simulation; D009682:Magnetic Resonance Spectroscopy; D008565:Membrane Proteins / Q000737:chemistry*; D009169:Mycobacterium tuberculosis / Q000737:chemistry*; D011485:Protein Binding; D011487:Protein Conformation; D013816:Thermodynamics
chemical_list: D008565:Membrane Proteins