Add to ORKGDead-end elimination (DEE) is a powerful theorem for selecting optimal protein side-chain orientations from a large set of discrete conformations. The present work describes a new approach to dead-end elimination that effectively splits conformational space into partitions to more efficiently eliminate dead-ending rotamers. Split DEE makes it possible to complete protein design calculations that were previously intractable due to the combinatorial explosion of intermediate conformations generated during the convergence process
The present article introduces a set of novel methods that facilitate the use of ‘‘natural moves’ ’ ...
Folded proteins and spin glasses share various properties, such as seemingly random interactions bet...
Rosetta uses a Monte Carlo optimization routine to pack side chains using a library of conformations...
Dead-end elimination (DEE) is a powerful theorem for selecting optimal protein side-chain orientatio...
THE prediction of a protein's tertiary structure is still a considerable problem because the huge am...
Abstract: One of the main challenges for protein redesign is the efficient evaluation of a combinato...
In protein redesign one of the main challenges is the ability to evaluate many different conformatio...
Motivation: Structure-based protein redesign can help engineer proteinswithdesirednovel function. Im...
10.1504/IJDMB.2007.012966International Journal of Data Mining and Bioinformatics14372-38
Novel molecular function can be achieved by redesigning an enzyme\u27s active site so that it will p...
Background: About a decade ago, the concept of rotamer libraries was introduced to model sidechains ...
Optimizing amino acid conformation and identity is a central problem in computational protein design...
BackgroundAbout a decade ago, the concept of rotamer libraries was introduced to model sidechains gi...
The present article introduces a set of novel methods that facilitate the use of "natural moves" or ...
<div><p>Optimizing amino acid conformation and identity is a central problem in computational protei...
The present article introduces a set of novel methods that facilitate the use of ‘‘natural moves’ ’ ...
Folded proteins and spin glasses share various properties, such as seemingly random interactions bet...
Rosetta uses a Monte Carlo optimization routine to pack side chains using a library of conformations...
Dead-end elimination (DEE) is a powerful theorem for selecting optimal protein side-chain orientatio...
THE prediction of a protein's tertiary structure is still a considerable problem because the huge am...
Abstract: One of the main challenges for protein redesign is the efficient evaluation of a combinato...
In protein redesign one of the main challenges is the ability to evaluate many different conformatio...
Motivation: Structure-based protein redesign can help engineer proteinswithdesirednovel function. Im...
10.1504/IJDMB.2007.012966International Journal of Data Mining and Bioinformatics14372-38
Novel molecular function can be achieved by redesigning an enzyme\u27s active site so that it will p...
Background: About a decade ago, the concept of rotamer libraries was introduced to model sidechains ...
Optimizing amino acid conformation and identity is a central problem in computational protein design...
BackgroundAbout a decade ago, the concept of rotamer libraries was introduced to model sidechains gi...
The present article introduces a set of novel methods that facilitate the use of "natural moves" or ...
<div><p>Optimizing amino acid conformation and identity is a central problem in computational protei...
The present article introduces a set of novel methods that facilitate the use of ‘‘natural moves’ ’ ...
Folded proteins and spin glasses share various properties, such as seemingly random interactions bet...
Rosetta uses a Monte Carlo optimization routine to pack side chains using a library of conformations...