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	1.	Use of decoys to optimize an all-atom force field including hydration. [electronic resource] by Arnautova, Yelena A Scheraga, Harold A Producer: 20080916 In: Biophysical journal vol. 95 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	All-Atom Internal Coordinate Mechanics (ICM) Force Field for Hexopyranoses and Glycoproteins. [electronic resource] by Arnautova, Yelena A Abagyan, Ruben Totrov, Maxim Publication details: Journal of chemical theory and computation May 2015 In: Journal of chemical theory and computation vol. 11 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Protein-RNA Docking Using ICM. [electronic resource] by Arnautova, Yelena A Abagyan, Ruben Totrov, Maxim Producer: 20180928 In: Journal of chemical theory and computation vol. 14 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	A new force field (ECEPP-05) for peptides, proteins, and organic molecules. [electronic resource] by Arnautova, Yelena A Jagielska, Anna Scheraga, Harold A Producer: 20070720 In: The journal of physical chemistry. B vol. 110 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Development of a new physics-based internal coordinate mechanics force field and its application to protein loop modeling. [electronic resource] by Arnautova, Yelena A Abagyan, Ruben A Totrov, Maxim Producer: 20110527 In: Proteins vol. 79 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Use of 13C(alpha) chemical shifts for accurate determination of beta-sheet structures in solution. [electronic resource] by Vila, Jorge A Arnautova, Yelena A Scheraga, Harold A Producer: 20080331 In: Proceedings of the National Academy of Sciences of the United States of America vol. 105 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Assessing the fractions of tautomeric forms of the imidazole ring of histidine in proteins as a function of pH. [electronic resource] by Vila, Jorge A Arnautova, Yelena A Vorobjev, Yury Scheraga, Harold A Producer: 20110701 In: Proceedings of the National Academy of Sciences of the United States of America vol. 108 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Identifying native-like protein structures with scoring functions based on all-atom ECEPP force fields, implicit solvent models and structure relaxation. [electronic resource] by Arnautova, Yelena A Vorobjev, Yury N Vila, Jorge A Scheraga, Harold A Producer: 20091029 In: Proteins vol. 77 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Are accurate computations of the 13C' shielding feasible at the DFT level of theory? [electronic resource] by Vila, Jorge A Arnautova, Yelena A Martin, Osvaldo A Scheraga, Harold A Producer: 20140930 In: Journal of computational chemistry vol. 35 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Quantum-mechanics-derived 13Calpha chemical shift server (CheShift) for protein structure validation. [electronic resource] by Vila, Jorge A Arnautova, Yelena A Martin, Osvaldo A Scheraga, Harold A Producer: 20100115 In: Proceedings of the National Academy of Sciences of the United States of America vol. 106 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	What can we learn by computing 13Calpha chemical shifts for X-ray protein models? [electronic resource] by Arnautova, Yelena A Vila, Jorge A Martin, Osvaldo A Scheraga, Harold A Producer: 20091001 In: Acta crystallographica. Section D, Biological crystallography vol. 65 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Coupling between conformation and proton binding in proteins. [electronic resource] by Vila, Jorge A Ripoll, Daniel R Arnautova, Yelena A Vorobjev, Yury N Scheraga, Harold A Producer: 20060515 In: Proteins vol. 61 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Physics-based method to validate and repair flaws in protein structures. [electronic resource] by Martin, Osvaldo A Arnautova, Yelena A Icazatti, Alejandro A Scheraga, Harold A Vila, Jorge A Producer: 20131209 In: Proceedings of the National Academy of Sciences of the United States of America vol. 110 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Evolution of physics-based methodology for exploring the conformational energy landscape of proteins. [electronic resource] by Scheraga, Harold A Pillardy, Jaroslaw Liwo, Adam Lee, Jooyoung Czaplewski, Cezary Ripoll, Daniel R Wedemeyer, William J Arnautova, Yelena A Producer: 20020522 In: Journal of computational chemistry vol. 23 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Significant progress in predicting the crystal structures of small organic molecules--a report on the fourth blind test. [electronic resource] by 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 B Hofmann, Detlef W M 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 Producer: 20090616 In: Acta crystallographica. Section B, Structural science vol. 65 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Towards crystal structure prediction of complex organic compounds--a report on the fifth blind test. [electronic resource] by Bardwell, David A Adjiman, Claire S Arnautova, Yelena A Bartashevich, Ekaterina Boerrigter, Stephan X M Braun, Doris E Cruz-Cabeza, Aurora J Day, Graeme M Della Valle, Raffaele G Desiraju, Gautam R van Eijck, Bouke P Facelli, Julio C Ferraro, Marta B Grillo, Damian Habgood, Matthew Hofmann, Detlef W M Hofmann, Fridolin Jose, K V Jovan Karamertzanis, Panagiotis G Kazantsev, Andrei V Kendrick, John Kuleshova, Liudmila N Leusen, Frank J J Maleev, Andrey V Misquitta, Alston J Mohamed, Sharmarke Needs, Richard J Neumann, Marcus A Nikylov, Denis Orendt, Anita M Pal, Rumpa Pantelides, Constantinos C Pickard, Chris J Price, Louise S Price, Sarah L Scheraga, Harold A van de Streek, Jacco Thakur, Tejender S Tiwari, Siddharth Venuti, Elisabetta Zhitkov, Ilia K Producer: 20120301 In: Acta crystallographica. Section B, Structural science vol. 67 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)