Protein structure prediction by tempering spatial constraints
نویسندگان
چکیده
منابع مشابه
Protein structure prediction by tempering spatial constraints
The probability to predict correctly a protein structure can be enhanced through introduction of spatial constraints - either from NMR experiments or from homologous structures. However, the additional constraints lead often to new local energy minima and worse sampling efficiency in simulations. In this work, we present a new parallel tempering variant that alleviates the energy barriers resul...
متن کاملStructure Prediction by Protein Threading
The seminal work of Bowie, Lüthy, and Eisenberg (Bowie et al., 1991) on “the inverse protein folding problem” laid the foundation of protein structure prediction by protein threading. By using simple measures for fitness of different amino acid types to local structural environments defined in terms of solvent accessibility and protein secondary structure, the authors derived a simple and yet p...
متن کاملProtein Structure Prediction by Protein Alignments
........................................................................................................................................................................ 1 Acknowledgements .................................................................................................................................................. 3 Chapter
متن کاملProtein structure prediction by pro-Sp3-TASSER.
An automated protein structure prediction algorithm, pro-sp3-Threading/ASSEmbly/Refinement (TASSER), is described and benchmarked. Structural templates are identified using five different scoring functions derived from the previously developed threading methods PROSPECTOR_3 and SP(3). Top templates identified by each scoring function are combined to derive contact and distant restraints for sub...
متن کاملProtein Structure Prediction by Fusion, Bayesian Methods
Prediction of protein secondary structure (alpha-helix, beta-sheet, coil) from primary sequence of amino acids is a very challenging and difficult task, and the problem has been approached from several angles. A protein is a sequence of amino acid residues and can thus be considered as a one dimensional chain of ‘beads’ where each bead correspond to one of the 20 different amino acid residues k...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Computer-Aided Molecular Design
سال: 2005
ISSN: 0920-654X,1573-4951
DOI: 10.1007/s10822-005-9016-0