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Journal of the American Chemical Society|October 22, 2008
Toward a chemical mechanism of proton pumping by the B-type cytochrome c oxidases: application of density functional theory to cytochrome ba3 of Thermus thermophilusJames A Fee, David A Case, Louis NoodlemanJournal of Computational Chemistry|December 12, 2007
The implementation of a fast and accurate QM/MM potential method in AmberRoss C Walker, Michael F Crowley, David A CaseJournal of the American Chemical Society|April 25, 2002
Binding modes for the first coupled electron and proton addition to FeMoco of nitrogenaseTimothy Lovell, Jian Li, David A Case, et al.Journal of Biomolecular NMR|August 3, 2015
AFNMR: automated fragmentation quantum mechanical calculation of NMR chemical shifts for biomoleculesJason Swails, Tong Zhu, Xiao He, et al.Journal of the American Chemical Society|January 12, 2019
Predicting Site-Binding Modes of Ions and Water to Nucleic Acids Using Molecular Solvation TheoryGeorge M Giambaşu, David A Case, Darrin M YorkJournal of the American Chemical Society|April 17, 2008
Carbon-deuterium bonds as probes of dihydrofolate reductaseMegan C Thielges, David A Case, Floyd E RomesbergJournal of the American Chemical Society|July 3, 2003
Structural, spectroscopic, and redox consequences of a central ligand in the FeMoco of nitrogenase: a density functional theoretical studyTimothy Lovell, Tiqing Liu, David A Case, et al.Biophysical Journal|November 23, 2021
Simulations of Kindlin-2 PIP binding domains reveal protonation-dependent membrane binding modesRobert D Palmere, David A Case, Andrew J NieuwkoopJournal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|August 31, 2002
FeMo cofactor of nitrogenase: energetics and local interactions in the protein environmentTimothy Lovell, Jian Li, David A Case, et al.Journal of Molecular Biology|January 22, 2008
Characterization of domain-peptide interaction interface: a case study on the amphiphysin-1 SH3 domainTingjun Hou, Wei Zhang, David A Case, et al.Pageof 21