- Dissecting contact potentials for proteins: relative contributions of individual amino acidsN V Buchete
Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892 0520, USA
Proteins 70:119-30. 2008..In addition, only potentials that take interactions involving the protein backbone into account can predict dense packing in protein structures...
- Development of novel statistical potentials for protein fold recognitionN V Buchete
Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892, USA
Curr Opin Struct Biol 14:225-32. 2004..New statistical and optimization computational algorithms can be used to obtain accurate residue-dependent potentials for use in protein fold recognition and, more importantly, structure prediction...
- Continuous anisotropic representation of coarse-grained potentials for proteins by spherical harmonics synthesisN V Buchete
Department of Chemistry, Boston University, Boston, MA 02215, USA
J Mol Graph Model 22:441-50. 2004..These new continuous anisotropic statistical potentials could be instrumental in developing new computational methods for structure prediction, threading and coarse-grained simulations...