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Journal of Chemical Information and Modeling|June 7, 2023
Evolving Mutational Buildup in HIV-1 Protease Shifts Conformational Dynamics to Gain Drug ResistanceMichael Souffrant, Xin-Qiu Yao, Donald HamelbergJournal of the American Chemical Society|February 11, 2005
Phosphorylation effects on cis/trans isomerization and the backbone conformation of serine-proline motifs: accelerated molecular dynamics analysisDonald Hamelberg, Tongye Shen, J Andrew McCammonThe Journal of Chemical Physics|September 13, 2006
Insight into the role of hydration on protein dynamicsDonald Hamelberg, Tongye Shen, J Andrew McCammonThe Journal of Chemical Physics|July 23, 2004
Accelerated molecular dynamics: a promising and efficient simulation method for biomoleculesDonald Hamelberg, John Mongan, J Andrew McCammonJournal of Chemical Information and Modeling|January 15, 2013
Cyclophilin A inhibition: targeting transition-state-bound enzyme conformations for structure-based drug designMulpuri Nagaraju, Lauren C McGowan, Donald HamelbergThe Journal of Physical Chemistry. B|December 19, 2022
Post-translational Modifications of Cyclophilin D Fine-Tune Its Conformational Dynamics and Activity: Implications for Its Mitochondrial FunctionJacques Kumutima, Xin-Qiu Yao, Donald HamelbergBiochemistry|February 16, 2021
p53 Is Potentially Regulated by Cyclophilin D in the Triple-Proline Loop of the DNA Binding DomainJacques Kumutima, Xin-Qiu Yao, Donald HamelbergACS Bio & Med Chem Au|April 21, 2025
Uncovering the Role of Distal Regions in PDK1 Allosteric ActivationNagaraju Mulpuri, Xin-Qiu Yao, Donald HamelbergProceedings of the National Academy of Sciences of the United States of America|September 8, 2007
A proposed signaling motif for nuclear import in mRNA processing via the formation of arginine clawDonald Hamelberg, Tongye Shen, J Andrew McCammonJournal of Chemical Information and Modeling|May 26, 2026
Alanine Rewires the Communication Pathways Established During the Allosteric Activation of Liver Pyruvate Kinase by Fructose BisphosphateJacques Kumutima, Xin-Qiu Yao, Donald HamelbergPageof 11