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Ab initio methods for protein structure prediction
Recent breakthroughs in DNA and protein sequencing have unlocked many secrets of molecular biology. A complete understanding of gene function, however, requires a protein structure in addition to its sequence. Modern protein ...
Knowledge-based prediction of chemical shift and recognition of protein native structure
We designed and implemented a suite of program which is able to accurately and automatically predict chemical shift of protein C-alpha nuclei on the simple basis of protein sequence and low-resolution C-alpha trace ...
Crystallographic refinement of thermal parameters using normal modes
We have developed a software package that models the anisotropic temperature factors of protein structures derived from crystallographic data using normal mode vectors. We hypothesize that the intrinsic flexibility of a ...