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10.1002/jcc.24290 http://scihub22266oqcxt.onion/10.1002/jcc.24290 C4828276!4828276 !26833706     free     free     free Deprecated: Implicit conversion from float 217.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 217.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Warning: imagejpeg(C:\Inetpub\vhosts\kidney.de\httpdocs\phplern\26833706 .jpg): Failed to open stream: No such file or directory in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 117       J+Comput+Chem 2016 ; 37 (12 ): 1048-58 Nephropedia Template TP {{tp|p=26833706 |t=2016. Fast search algorithms for computational protein design |pdf=|usr=}}{{26833706 }} gab.com Text Fast search algorithms for computational protein design JO: J Comput Chem http://www.kidney.de/pget.php?&tw=1&pmid=26833706 #FOAvip One of the main challenges in computational protein design (CPD) is the huge size of the protein sequence and conformational space that has to be computationally explored. Recently, we showed that state-of-the-art combinatorial optimization technologies based on Cost Function Network (CFN) processing allow speeding up provable rigid backbone protein design methods by several orders of magnitudes. Building up on this, we improved and injected CFN technology into the well-established CPD package Osprey to allow all Osprey CPD algorithms to benefit from associated speedups. Because Osprey fundamentally relies on the ability of A* to produce conformations in increasing order of energy, we defined new A* strategies combining CFN lower bounds, with new side-chain positioning-based branching scheme. Beyond the speedups obtained in the new A*-CFN combination, this novel branching scheme enables a much faster enumeration of suboptimal sequences, far beyond what is reachable without it. Together with the immediate and important speedups provided by CFN technology, these developments directly benefit to all the algorithms that previously relied on the DEE/ A* combination inside Osprey* and make it possible to solve larger CPD problems with provable algorithms. Twit Text FOAVip Fast search algorithms for computational protein design ????J Comput Chem http://www.kidney.de/pget.php?&tw=1&pmid=26833706 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=26833706 #FOAvip English Wikipedia <ref>{{Cite pmid|26833706 }}</ref> Fast search algorithms for computational protein design #MMPMID26833706 Traoré S ; Roberts KE ; Allouche D ; Donald BR ; André I ; Schiex T ; Barbe S J Comput Chem 2016[May]; 37 (12 ): 1048-58 PMID26833706 show ga One of the main challenges in computational protein design (CPD) is the huge size of the protein sequence and conformational space that has to be computationally explored. Recently, we showed that state-of-the-art combinatorial optimization technologies based on Cost Function Network (CFN) processing allow speeding up provable rigid backbone protein design methods by several orders of magnitudes. Building up on this, we improved and injected CFN technology into the well-established CPD package Osprey to allow all Osprey CPD algorithms to benefit from associated speedups. Because Osprey fundamentally relies on the ability of A* to produce conformations in increasing order of energy, we defined new A* strategies combining CFN lower bounds, with new side-chain positioning-based branching scheme. Beyond the speedups obtained in the new A*-CFN combination, this novel branching scheme enables a much faster enumeration of suboptimal sequences, far beyond what is reachable without it. Together with the immediate and important speedups provided by CFN technology, these developments directly benefit to all the algorithms that previously relied on the DEE/ A* combination inside Osprey* and make it possible to solve larger CPD problems with provable algorithms. |*Algorithms [MESH] |*Computational Biology [MESH] |Amino Acid Sequence [MESH] |Drug Design [MESH] |Protein Conformation [MESH]Fast search algorithms for computational protein design (epmc).pdf DeepDyve Pubget Overpricing