Structure Determination from NMR and Energy Refinement

• Collaboration with Jorge A Vila and Harold A. Scheraga

    “Use of ¹³C chemical shifts in protein-structure determination.” J.A. Vila, D.R. Ripoll and H.A. Scheraga (2007). J. Phys. Chem. B, 111, 6577-6585. [pdf] 

  “Coupling Between Conformation and Proton Binding” J.A. Vila, D.R. Ripoll, Y.A. Arnautova, Y. N. Vorobjev and H.A. Scheraga. (2005). Proteins: Struct. Funct. Bioinform., 61, 56-68. [pdf]

  “Fast and accurate computation of the ¹³C chemical shifts for an alanine-rich peptide.”   J.A. Vila, H.A. Baldoni, D.R. Ripoll, and H.A. Scheraga. (2004). Proteins: Struct. Funct. Bioinform., 57, 87-98. [pdf]

  “Unblocked statistical-coil tetrapeptides in aqueous solution: Quantum-chemical computation of the carbon-13 NMR chemical shifts” J.A. Vila, H.A. Baldoni, D.R. Ripoll, and H.A. Scheraga. (2003). J. Biomol. NMR, 26, 113-130. [pdf].

   

• Collaboration with Feng Ni (Biotechnology Research Institute, National Research Council of Canada)

  ``NMR Solution Conformation of a Potent Peptide Derived from the C-terminus of Human C5a Anaphylatoxin'' F. Ni., K.A. Carpenter, D.R. Ripoll, S.D. Anderson, and T.E. Hugli. (1996). Biopolymers 38, 31-41. [pdf]

  ``Thrombin-Bound Conformation of a cyclic Anticoagulant Peptide using Transferred NOE, Distance Geometry and NOE Simulations." Q. Ning, D. Ripoll, Z. Szewczuk, Y. Konishi and F. Ni. (1994). Biopolymers 34, 1125-1137.  [pdf]