An Exact Algorithm For Determining Protein Backbone Structure From NH Residual Dipolar Couplings

We have developed a novel algorithm for protein backbone structure determination using global orientational restraints on internuclear bond vectors derived from residual dipolar couplings (RDCs) measured in solution NMR. The algorithm is a depth-first search (DFS) strategy that is built upon two low-degree polynomial equations for computing the backbone (φ, ψ) angles, exactly and in constant time, from two bond vectors in consecutive peptide planes.

• Type: Conference
• Year: 2003
• Where: CSB
• Authors: Lincong Wang, Ramgopal R. Mettu, Ryan H. Lilien, Bruce Randall Donald
• Keywords: Backbone Structure Determination, Bond Vectors, CSB 2003, Internuclear Bond Vectors