منابع مشابه
Ab initio RNA folding.
RNA molecules are essential cellular machines performing a wide variety of functions for which a specific three-dimensional structure is required. Over the last several years, the experimental determination of RNA structures through x-ray crystallography and NMR seems to have reached a plateau in the number of structures resolved each year, but as more and more RNA sequences are being discovere...
متن کاملAb Initio Folding of Multiple-Chain Proteins
Our previous methodology for ab initio prediction of protein structure is extended here to treat multiple-chain proteins. This involved modification of our united-residue (UNRES) force field and our Conformational Space Annealing (CSA) Global Optimization procedure. Good results have been obtained for both a four- and a three-helix protein from the CASP3 exercise.
متن کاملDual folding pathways of an / protein from all-atom ab initio folding simulations
Successful ab initio folding of proteins with both -helix and -sheet requires a delicate balance among a variety of forces in the simulation model, which may explain that the successful folding of any / proteins to within experimental error has yet to be reported. Here we demonstrate that it is an achievable goal to fold / proteins with a force field emphasizing the balance between the two majo...
متن کاملA review of recent advances in ab initio protein folding by the Folding@home project
The Folding@home project harnesses a volunteer distributed computing network to perform ab initio molecular simulations of protein folding. Thanks to engineering innovations like a Graphical Processing Unit (GPU) client for running simulations, Folding@home is able to harness over 6.1 petaFLOPS of processing power, allowing it to simulate longer and more complex protein folding mechanisms than ...
متن کاملA Probabilistic Graphical Model for Ab Initio Folding
Despite significant progress in recent years, ab initio folding is still one of the most challenging problems in structural biology. This paper presents a probabilistic graphical model for ab initio folding, which employs Conditional Random Fields (CRFs) and directional statistics to model the relationship between the primary sequence of a protein and its three-dimensional structure. Different ...
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ژورنال
عنوان ژورنال: Journal of Physics: Condensed Matter
سال: 2015
ISSN: 0953-8984,1361-648X
DOI: 10.1088/0953-8984/27/23/233102