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Journal of Chemical Theory and Computation|December 4, 2015
A Combined QM/MM Poisson-Boltzmann ApproachSeth A Hayik, Ning Liao, Kenneth M MerzJournal of Inorganic Biochemistry|February 2, 2010
QM/MM X-ray refinement of zinc metalloenzymesXue Li, Seth A Hayik, Kenneth M MerzJournal of Chemical Theory and Computation|December 17, 2008
Assigning the protonation states of the key aspartates in β-Secretase using QM/MM X-ray structure refinementNing Yu, Seth A Hayik, Bing Wang, et al.Journal of Chemical Theory and Computation|January 12, 2011
A Mixed QM/MM Scoring Function to Predict Protein-Ligand Binding AffinitySeth A Hayik, Roland Dunbrack, Kenneth M MerzProtein Science : a Publication of the Protein Society|November 30, 2006
Critical assessment of quantum mechanics based energy restraints in protein crystal structure refinementNing Yu, Xue Li, Guanglei Cui, et al.Accounts of Chemical Research|August 8, 2014
Using quantum mechanical approaches to study biological systemsKenneth M MerzJournal of Chemical Theory and Computation|May 15, 2010
Limits of Free Energy Computation for Protein-Ligand InteractionsKenneth M MerzBiochemistry|August 30, 2021
Formation of the Metal-Binding Core of the ZRT/IRT-like Protein (ZIP) Family Zinc TransporterGaurav Sharma, Kenneth M MerzJournal of Chemical Theory and Computation|March 25, 2014
Taking into Account the Ion-induced Dipole Interaction in the Nonbonded Model of IonsPengfei Li, Kenneth M MerzJournal of the American Chemical Society|January 23, 2003
Molecular dynamics and quantum chemical studies on the catalytic mechanism of Delta5-3-ketosteroid isomerase: the catalytic diad versus the cooperative hydrogen bond mechanismHwangseo Park, Kenneth M MerzPageof 40