Arnautova, Yelena A.

PRODUCCION CIENTÍFICO TECNOLÓGICA

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Capítulo de Libro 13C Chemical Shifts in Proteins: A rich source of encoded structural information

Título del libro: Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes: From Bioinformatics to Molecular Quantum Mechanics

Vila, Jorge Alberto ; Arnautova, Yelena A. - Otros responsables: Liwo, Adam - (Springer, 2013)
Artículo A third blind test of crystal structure prediction

Day, G.M.; Motherwell, W.D.S.; Ammon, H.L.; Boerrigter, S.X.M.; Della Valle, R.G.; Venuti, E.; Dzyabchenko, A.; Dunitz, J.D.; Schweizer, B.; Van Eijck, B.P.; Erk, P.; Facelli, Julio C.; Bazterra, V.E.; Ferraro, Marta Beatriz ; Hofmann, D.W.M.; Leusen, F.J.J.; Liang, C.; Pantelides, C.C.; Karamertzanis, P.G.; Price, S.L.; Lewis, T.C.; Nowell, H.; Torrisi, A.; Scheraga, H.A.; Arnautova, Yelena A.; Schmidt, M.U.; Verwer, P. (Wiley Blackwell Publishing, Inc, 2005-05)
Artículo Are accurate computations of the 13C' shielding feasible at the DFT level of theory?

Vila, Jorge Alberto ; Arnautova, Yelena A.; Martín, Osvaldo Antonio ; Scheraga, Harold A. (Wiley, 2014-02)
Artículo Coupling between conformation and proton binding in proteins

Vila, Jorge Alberto ; Ripoll, Daniel R.; Arnautova, Yelena A.; Vorobjev, Yury N.; Scheraga, Harold A. (Wiley-liss, div John Wiley & Sons Inc., 2005-12)
Artículo Identifying native-like protein structures with scoring functions based on all-atom ECEPP force fields, implicit solvent models and structure relaxation

Arnautova, Yelena A.; Vorobjev, Yury N.; Vila, Jorge Alberto ; Scheraga, Haroldo A. (Wiley-liss, div John Wiley & Sons Inc., 2009-12)
Artículo Quantum-mechanics-derived 13Cα chemical shift server ( CheShift) for protein structure validation

Vila Jorge A.; Arnautova, Yelena A.; Martín, Osvaldo Antonio ; Scheraga, Harold A. (National Academy of Sciences, 2009-09)
Artículo Significant progress in predicting the crystal structures of small organic molecules - A report on the fourth blind test

Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; Van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta Beatriz ; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; Van De Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd (Wiley Blackwell Publishing, Inc, 2009-02)
Artículo Use of 13Ca chemical shifts for accurate determination of beta-Sheet structures in solution

Vila, Jorge Alberto ; Arnautova, Yelena A.; Scheraga, Harold A. (National Academy of Sciences, 2008-02)

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