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ACS Infectious Diseases|September 14, 2019
Conformational Dynamics of AcrA Govern Multidrug Efflux Pump AssemblyAnthony J Hazel, Narges Abdali, Inga V Leus, et al.The Journal of Physical Chemistry. B|September 5, 2019
Ligand-Dependent Sodium Ion Dynamics within the A2A Adenosine Receptor: A Molecular Dynamics StudyXiaohu Hu, Micholas Dean Smith, Bailey M Humphreys, et al.Accounts of Chemical Research|January 29, 2019
Environmental Mercury Chemistry - In SilicoAbu Asaduzzaman, Demian Riccardi, Akef T Afaneh, et al.Journal of Molecular Biology|March 23, 2010
Structure and conformational dynamics of the metalloregulator MerR upon binding of Hg(II)Hao-Bo Guo, Alexander Johs, Jerry M Parks, et al.Journal of Immunology (Baltimore, Md. : 1950)|September 4, 2020
Combining Three-Dimensional Modeling with Artificial Intelligence to Increase Specificity and Precision in Peptide-MHC Binding PredictionsMichelle P Aranha, Yead S M Jewel, Robert A Beckman, et al.The Journal of Physical Chemistry. A|December 21, 2011
Benchmark interaction energies for biologically relevant noncovalent complexes containing divalent sulfurBenjamin J Mintz, Jerry M ParksBiophysical Journal|August 19, 2021
Lpp positions peptidoglycan at the AcrA-TolC interface in the AcrAB-TolC multidrug efflux pumpJames C Gumbart, Josie L Ferreira, Hyea Hwang, et al.The Journal of Chemical Physics|February 8, 2013
Pseudobond parameters for QM/MM studies involving nucleosides, nucleotides, and their analogsRobin Chaudret, Jerry M Parks, Weitao YangJournal of Chemical Theory and Computation|January 16, 2018
Development of CHARMM-Compatible Force-Field Parameters for Cobalamin and Related Cofactors from Quantum Mechanical CalculationsAnna Pavlova, Jerry M Parks, James C GumbartJournal of Medicinal Chemistry|June 27, 2017
Identification and Structure-Activity Relationships of Novel Compounds that Potentiate the Activities of Antibiotics in Escherichia coliKeith M Haynes, Narges Abdali, Varsha Jhawar, et al.Pageof 38