X. Prat-Resina

发表

Development of effective quantum mechanical/molecular mechanical (QM/MM) methods for complex biological processes.

Guohui Li, Q. Cui, Hua Guo, 2006, The journal of physical chemistry. B.

Determination of Enzymatic Reaction Pathways Using QM/MM Methods

G. Monard, X. Prat-Resina, Àngels González-Lafont, 2003 .

Computational study on the carboligation reaction of acetohidroxyacid synthase: New approach on the role of the HEThDP− intermediate

Gonzalo A. Jaña, X. Prat-Resina, J. Alderete, 2010, Proteins.

How important is the refinement of transition state structures in enzymatic reactions

X. Prat-Resina, Àngels González-Lafont, J. M. Lluch, 2003 .

On the modulation of the substrate activity for the racemization catalyzed by mandelate racemase enzyme. A QM/MM study

X. Prat-Resina, Àngels González-Lafont, J. M. Lluch, 2002 .

DFT computational study of the mechanism of allyl halides carbonylation catalyzed by nickel tetracarbonyl.

J. Novoa, X. Prat-Resina, A. Bottoni, 2003, Journal of the American Chemical Society.

"Proton holes" in long-range proton transfer reactions in solution and enzymes: A theoretical analysis.

Thomas Frauenheim, Xavier Prat-Resina, Marcus Elstner, 2006, Journal of the American Chemical Society.

Geometry optimization and transition state search in enzymes: Different options in the microiterative method

Àngels González-Lafont, José M. Lluch, Xavier Prat-Resina, 2004 .

Microscopic pKa analysis of Glu286 in cytochrome c oxidase (Rhodobacter sphaeroides): toward a calibrated molecular model.

Q. Cui, M. Gunner, N. Ghosh, 2009, Biochemistry.

Connecting Analytics and Curriculum Design: Process and Outcomes of Building a Tool to Browse Data Relevant to Course Designers

Xavier Prat-Resina, Robert L. Dunbar, Molly J. Dingel, 2014, J. Learn. Anal..

Dynamics of an enzymatic substitution reaction in haloalkane dehalogenase.

Jiali Gao, Xavier Prat-Resina, Mireia Garcia-Viloca, 2004, Journal of the American Chemical Society.