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List Of Publications: Robert Powers
List Of Publications: Robert Powers
Robert Powers Publications
Chronological list of 57 published articles and chapters in chemistry. Current through August 2006.
Comparison Of Protein Active Site Structures For Functional Annotation Of Proteins And Drug Design, Robert Powers, Jennifer C. Copeland, Katherine Germer, Kelly A. Mercier, Viswanathan Ramanathan, Peter Revesz
Comparison Of Protein Active Site Structures For Functional Annotation Of Proteins And Drug Design, Robert Powers, Jennifer C. Copeland, Katherine Germer, Kelly A. Mercier, Viswanathan Ramanathan, Peter Revesz
Robert Powers Publications
Rapid and accurate functional assignment of novel proteins is increasing in importance, given the completion of numerous genome sequencing projects and the vastly expanding list of unannotated proteins. Traditionally, global primary-sequence and structure comparisons have been used to determine putative function. These approaches, however, do not emphasize similarities in active site configurations that are fundamental to a protein’s activity and highly conserved relative to the global and more variable structural features. The Comparison of Protein Active Site Structures (CPASS) database and software enable the comparison of experimentally identified ligand-binding sites to infer biological function and aid in drug discovery. The …
A Topology-Constrained Distance Network Algorithm For Protein Structure Determination From Noesy Data, Yuanpeng Janet Huang, Roberto Tejero, Robert Powers, Gaetano T. Montelione
A Topology-Constrained Distance Network Algorithm For Protein Structure Determination From Noesy Data, Yuanpeng Janet Huang, Roberto Tejero, Robert Powers, Gaetano T. Montelione
Robert Powers Publications
This article formulates the multidimensional nuclear Overhauser effect spectroscopy (NOESY) interpretation problem using graph theory and presents a novel, bottom-up, topology-constrained distance network analysis algorithm for NOESY cross peak interpretation using assigned resonances. AutoStructure is a software suite that implements this topology- constrained distance network analysis algorithm and iteratively generates structures using the three-dimensional (3D) protein structure calculation programs XPLOR/CNS or DYANA. The minimum input for AutoStructure includes the amino acid sequence, a list of resonance assignments, and lists of 2D, 3D, and/or 4D-NOESY cross peaks. AutoStructure can also analyze homodimeric proteins when X-filtered NOESY experiments are available. The quality …