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Biophysical Journal
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May 27, 2008
Use of decoys to optimize an all-atom force field including hydration
Yelena A Arnautova, Harold A Scheraga
Journal of Chemical Theory and Computation
|
May 23, 2015
All-Atom Internal Coordinate Mechanics (ICM) Force Field for Hexopyranoses and Glycoproteins
Yelena A Arnautova, Ruben Abagyan, Maxim Totrov
Journal of Chemical Theory and Computation
|
July 18, 2018
Protein-RNA Docking Using ICM
Yelena A Arnautova, Ruben Abagyan, Maxim Totrov
Proteins
|
November 12, 2010
Development of a new physics-based internal coordinate mechanics force field and its application to protein loop modeling
Yelena A Arnautova, Ruben A Abagyan, Maxim Totrov
The Journal of Physical Chemistry. B
|
March 11, 2006
A new force field (ECEPP-05) for peptides, proteins, and organic molecules
Yelena A Arnautova, Anna Jagielska, Harold A Scheraga
Proceedings of the National Academy of Sciences of the United States of America
|
February 6, 2008
Use of 13C(alpha) chemical shifts for accurate determination of beta-sheet structures in solution
Jorge A Vila, Yelena A Arnautova, Harold A Scheraga
Proceedings of the National Academy of Sciences of the United States of America
|
March 23, 2011
Assessing the fractions of tautomeric forms of the imidazole ring of histidine in proteins as a function of pH
Jorge A Vila, Yelena A Arnautova, Yury Vorobjev, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
October 7, 2009
Quantum-mechanics-derived 13Calpha chemical shift server (CheShift) for protein structure validation
Jorge A Vila, Yelena A Arnautova, Osvaldo A Martin, et al.
Proteins
|
April 23, 2009
Identifying native-like protein structures with scoring functions based on all-atom ECEPP force fields, implicit solvent models and structure relaxation
Yelena A Arnautova, Yury N Vorobjev, Jorge A Vila, et al.
Journal of Computational Chemistry
|
January 10, 2014
Are accurate computations of the 13C' shielding feasible at the DFT level of theory?
Jorge A Vila, Yelena A Arnautova, Osvaldo A Martin, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 19) with videos related to
Sort By:
Page
of 2
Biophysical Journal
|
May 27, 2008
Use of decoys to optimize an all-atom force field including hydration
Yelena A Arnautova, Harold A Scheraga
Journal of Chemical Theory and Computation
|
May 23, 2015
All-Atom Internal Coordinate Mechanics (ICM) Force Field for Hexopyranoses and Glycoproteins
Yelena A Arnautova, Ruben Abagyan, Maxim Totrov
Journal of Chemical Theory and Computation
|
July 18, 2018
Protein-RNA Docking Using ICM
Yelena A Arnautova, Ruben Abagyan, Maxim Totrov
Proteins
|
November 12, 2010
Development of a new physics-based internal coordinate mechanics force field and its application to protein loop modeling
Yelena A Arnautova, Ruben A Abagyan, Maxim Totrov
The Journal of Physical Chemistry. B
|
March 11, 2006
A new force field (ECEPP-05) for peptides, proteins, and organic molecules
Yelena A Arnautova, Anna Jagielska, Harold A Scheraga
Proceedings of the National Academy of Sciences of the United States of America
|
February 6, 2008
Use of 13C(alpha) chemical shifts for accurate determination of beta-sheet structures in solution
Jorge A Vila, Yelena A Arnautova, Harold A Scheraga
Proceedings of the National Academy of Sciences of the United States of America
|
March 23, 2011
Assessing the fractions of tautomeric forms of the imidazole ring of histidine in proteins as a function of pH
Jorge A Vila, Yelena A Arnautova, Yury Vorobjev, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
October 7, 2009
Quantum-mechanics-derived 13Calpha chemical shift server (CheShift) for protein structure validation
Jorge A Vila, Yelena A Arnautova, Osvaldo A Martin, et al.
Proteins
|
April 23, 2009
Identifying native-like protein structures with scoring functions based on all-atom ECEPP force fields, implicit solvent models and structure relaxation
Yelena A Arnautova, Yury N Vorobjev, Jorge A Vila, et al.
Journal of Computational Chemistry
|
January 10, 2014
Are accurate computations of the 13C' shielding feasible at the DFT level of theory?
Jorge A Vila, Yelena A Arnautova, Osvaldo A Martin, et al.
Page
of 2