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Xavier Prat-Resina

Xavier Prat-Resina

University of Minnesota Rochester - Rochester / United States
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 3992442
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person_outline Xavier Prat-Resina's MOST POPULAR ARTICLES
1-) Development of effective quantum mechanical/molecular mechanical (QM/MM) methods for complex biological processes The Journal of Physical Chemistry B 110 (13), 6458-6469, 2006
2-) “Proton holes” in long-range proton transfer reactions in solution and enzymes: A theoretical analysis Journal of the American Chemical Society 128 (50), 16302-16311, 2006
3-) Dynamics of an enzymatic substitution reaction in haloalkane dehalogenase Journal of the American Chemical Society 126 (5), 1369-1376, 2004
4-) Microscopic pKa Analysis of Glu286 in Cytochrome c Oxidase (Rhodobacter sphaeroides): Toward a Calibrated Molecular Model Biochemistry 48 (11), 2468-2485, 2009
5-) Determination of enzymatic reaction pathways using QM/MM methods International journal of quantum chemistry 93 (3), 229-244, 2003