All Department Publications

Found 10 results
Author Title Type [ Year(Asc)]
Filters: Author is Yang, Yang  [Clear All Filters]
2011
Yang Y, Mkhonto D, Cui Q, Sahai N. Theoretical Study of Bone Sialoprotein in Bone Biomineralization. Cells Tissues Organs. 2011;194:182-187.
2010
Yang Y, Cui Q, Sahai N. How does bone sialoprotein promote the nucleation of hydroxyapatite? A molecular dynamics study using model peptides of different conformations. Langmuir. 2010;26(12):9848-59.
2009
Yang Y, Cui Q. The Hydrolysis Activity of Adenosine Triphosphate in Myosin: A Theoretical Analysis of Anomeric Effects and the Nature of the Transition State. Journal of Physical Chemistry A. 2009;113:12439-12446.
2008
Yang Y, Yu H, Cui Q. Extensive conformational transitions are required to turn on ATP hydrolysis in myosin. Journal of Molecular Biology. 2008;381:1407-1420.
2007
Yang Y, Yu H, York D, Cui Q, Elstner M. Extension of the self-consistent-charge density-functional tight-binding method: third-order expansion of the density functional theory total energy and introduction of a modified effective coulomb interaction. J Phys Chem A. 2007;111(42):10861-73.
Yang Y, Yu H, York D, Cui Q, Elstner M. Extension of the self-consistent-charge density-functional tight-binding method: Third-order expansion of the density functional theory total energy and introduction of a modified effective coulomb interaction. Journal of Physical Chemistry A. 2007;111:10861-10873.
Yang Y, Cui Q. Interactions between phosphate and water in solution: A natural bond orbital based analysis in a QM/MM framework. Journal of Physical Chemistry B. 2007;111:3999-4002.
Yu H, Ma L, Yang Y, Cui Q. Mechanochemical coupling in the myosin motor domain. I. Insights from equilibrium active-site simulations. Plos Computational Biology. 2007;3:199-213.
Yu H, Ma L, Yang Y, Cui Q. Mechanochemical coupling in the myosin motor domain. II. Analysis of critical residues. Plos Computational Biology. 2007;3:214-230.
2006
Riccardi D, Schaefer P, Yang Y, Yu H, Ghosh N, Prat-Resina X, König P, Li G, Xu D, Guo H, et al. Development of effective quantum mechanical/molecular mechanical (QM/MM) methods for complex biological processes. J Phys Chem B. 2006;110(13):6458-69.

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