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ASTRO-FOLD: A combinatorial and global optimization framework for ab initio prediction of three-dimensional structures of proteins from the amino acid ABSTRACT The field of computational biology has been revolutionized by recent advances in genomics. The completion of a number of genome projects, including ...
Molecular dynamics simulation of bacteriorhodopsin's photoisomerization using ab initio forces for the excited chromophore ABSTRACT Retinal proteins are photoreceptors found in many living organisms. They possess a common chromophore, retinal, that upon absorption of light ...
Touchstone II: A new approach to ab initio protein structure prediction ABSTRACT We have developed a new combined approach for ab initio protein structure prediction. The protein conformation is described as a lattice chain ...
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