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  • Jorge A. Vila, Yelena A. Arnautova, Osvaldo A. Martin, Harold A. Scheraga
  • Chemistry, Medicine
  • Proceedings of the National Academy of Sciences…
  • 2009 (First Published: 6 October 2009)
  • A server (CheShift) has been developed to predict (13)C(alpha) chemical shifts of protein structures. It is based on the generation of 696,916 conformations as a function of the phi, psi, omega, chi1Continue Reading
  • Osvaldo A. Martin, Yelena A. Arnautova, A. A Icazatti, Harold A. Scheraga, Jorge A. Vila
  • Physics, Medicine
  • Proceedings of the National Academy of Sciences…
  • 2013 (First Published: 15 October 2013)
  • A method that makes use of information provided by the combination of (13)C(α) and (13)C(β) chemical shifts, computed at the density functional level of theory, enables one to (i) validate, at theContinue Reading
  • Kevin Baler, Osvaldo A. Martin, Marcelo A. Carignano, Guillermo Antonio Ameer, Jorge A. Vila, Igal Szleifer
  • Medicine, Chemistry
  • The journal of physical chemistry. B
  • 2014 (First Published: 30 January 2014)
  • A better understanding of protein aggregation is bound to translate into critical advances in several areas, including the treatment of misfolded protein disorders and the development ofContinue Reading
  • María José Figueras, Osvaldo A. Martin, +5 authors Sergio Oscar Angel
  • Medicine, Chemistry
  • International journal of biological…
  • 2012 (First Published: 1 April 2012)
  • Toxoplasma gondii is an obligate intracellular protozoan parasite in which 36 predicted Hsp40 family members were identified by searching the T. gondii genome. The predicted protein sequence from theContinue Reading
  • Khatuna Kachlishvili, Gia G. Maisuradze, Osvaldo A. Martin, Adam Liwo, Jorge A. Vila, Harold A. Scheraga
  • Chemistry, Medicine
  • Proceedings of the National Academy of Sciences…
  • 2014 (First Published: 10 June 2014)
  • By using local (free-energy profiles along the amino acid sequence and (13)C(α) chemical shifts) and global (principal component) analyses to examine the molecular dynamics of protein-foldingContinue Reading