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Journal of Chemical Theory and Computation|June 14, 2011
Formal Estimation of Errors in Computed Absolute Interaction Energies of Protein-ligand ComplexesJohn C Faver, Mark L Benson, Xiao He, et al.Molecular Physics|June 18, 2010
Assessment of the CCSD and CCSD(T) Coupled-Cluster Methods in Calculating Heats of Formation for Cu ComplexesMichael N Weaver, Kenneth M MerzThe Journal of Physical Chemistry. B|August 11, 2006
Role of solvation in the energy stabilization inside the hydrophobic core of the protein rubredoxinKevin E Riley, Kenneth M MerzThe Journal of Physical Chemistry. A|February 15, 2007
Insights into the strength and origin of halogen bonding: the halobenzene-formaldehyde dimerKevin E Riley, Kenneth M MerzAccounts of Chemical Research|December 25, 2014
Role of substrate dynamics in protein prenylation reactionsDhruva K Chakravorty, Kenneth M MerzAdvances in Protein Chemistry and Structural Biology|December 3, 2014
Studying allosteric regulation in metal sensor proteins using computational methodsDhruva K Chakravorty, Kenneth M MerzJournal of Chemical Theory and Computation|August 31, 2022
Adiabatic Excited-State Molecular Dynamics with an Explicit Solvent: NEXMD-SANDER ImplementationDustin A Tracy, Sebastian Fernandez-Alberti, Sergei Tretiak, et al.Journal of the American Chemical Society|October 31, 2002
Smaller and faster: the 20-residue Trp-cage protein folds in 4 microsLinlin Qiu, Suzette A Pabit, Adrian E Roitberg, et al.Journal of the American Chemical Society|May 12, 2005
Multiple-steering QM-MM calculation of the free energy profile in chorismate mutaseAlejandro Crespo, Marcelo A Martí, Darío A Estrin, et al.Journal of Chemical Theory and Computation|December 3, 2015
Semiempirical Comparative Binding Energy Analysis (SE-COMBINE) of a Series of Trypsin InhibitorsMartin B Peters, Kenneth M MerzPageof 37