De novo prediction of the structures of M. tuberculosis membrane proteins.
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.
Bu
Lintao
L
Department of Molecular Biology and Center for Theoretical Biological Physics, Scripps Research Institute, La Jolla, California 92037, USA.
Brooks
Charles L
CL
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
D008565:Membrane Proteins