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Journal of Chemical Information and Modeling|September 29, 2007
Binding response: a descriptor for selecting ligand binding site on protein surfacesShijun Zhong, Alexander D MacKerellCurrent Topics in Medicinal Chemistry|February 3, 2007
Computational identification of inhibitors of protein-protein interactionsShijun Zhong, Alba T Macias, Alexander D MacKerellJournal of Medicinal Chemistry|July 17, 2007
Inhibition of the bacterial heme oxygenases from Pseudomonas aeruginosa and Neisseria meningitidis: novel antimicrobial targetsLena M Furci, Pedro Lopes, Suntara Eakanunkul, et al.Biophysical Journal|November 3, 2019
Ions Everywhere? Mg2+ in the μ-Opioid GPCR and Atomic Details of Their Impact on FunctionAlexander D MacKerellThe Journal of Physical Chemistry. B|August 27, 2009
Contribution of the intrinsic mechanical energy of the phosphodiester linkage to the relative stability of the A, BI, and BII forms of duplex DNAAlexander D MacKerellJournal of Computational Chemistry|July 21, 2004
Empirical force fields for biological macromolecules: overview and issuesAlexander D MackerellCancer Research|May 3, 2008
Rational design of human DNA ligase inhibitors that target cellular DNA replication and repairXi Chen, Shijun Zhong, Xiao Zhu, et al.Bioorganic & Medicinal Chemistry Letters|September 27, 2006
Characterization of ATP-independent ERK inhibitors identified through in silico analysis of the active ERK2 structureFengming Chen, Chad N Hancock, Alba T Macias, et al.Nucleic Acids Research|December 5, 2003
Altered structural fluctuations in duplex RNA versus DNA: a conformational switch involving base pair openingYongping Pan, Alexander D MacKerellPlos Computational Biology|July 14, 2009
Computational fragment-based binding site identification by ligand competitive saturationOlgun Guvench, Alexander D MacKerellPageof 42