All Department Publications

Found 4 results
Author Title Type [ Year(Asc)]
Filters: Author is Koenig, Peter  [Clear All Filters]
2010
Zhu X, Koenig P, Hoffmann M, Yethiraj A, Cui Q. Establishing Effective Simulation Protocols for beta- and alpha/beta-Peptides. III. Molecular Mechanical Model for Acyclic beta-Amino Acids. Journal of Computational Chemistry. 2010;31:2063-2077.
2008
Zhu X, Koenig P, Gellman SH, Yethiraj A, Cui Q. Establishing Effective Simulation Protocols for β- and α/β-Peptides. II. Molecular Mechanical (MM) Model for a Cyclic β-Residue. The Journal of Physical Chemistry B [Internet]. 2008;112:5439-5448. Available from: http://pubs.acs.org/doi/abs/10.1021/jp077601y
Riccardi D, Koenig P, Guo H, Cui Q. Proton transfer in carbonic anhydrase is controlled by electrostatics rather than the orientation of the acceptor. Biochemistry. 2008;47:2369-2378.
2006
Riccardi D, Koenig P, Prat-Resina X, Yu H, Elstner M, Frauenheim T, Cui Q. "Proton holes" in long-range proton transfer reactions in solution and enzymes: A theoretical analysis. Journal of the American Chemical Society. 2006;128:16302-16311.

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