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Biorxiv : the Preprint Server for Biology|June 4, 2026
An N-terminal amphipathic helix governs activity and conformational dynamics of Nramp metal transportersMajid Jafari, Hongyan Zhao, Yao Zhang, et al.The Journal of Biological Chemistry|April 19, 2026
Zinc-induced exposure of an LxL motif drives clathrin-mediated endocytosis of the zinc transceptor ZIP4Tianqi Wang, Chi Zhang, Yao Zhang, et al.Journal of Chemical Theory and Computation|January 11, 2014
Calculation of Heats of Formation for Zn Complexes: Comparison of Density Functional Theory, Second Order Perturbation Theory, Coupled-Cluster and Complete Active Space MethodsMichael N Weaver, Kenneth M Merz, Dongxia Ma, et al.Current Medicinal Chemistry|November 28, 2009
Molecular recognition and drug-lead identification: what can molecular simulations tell us?Giulia Morra, Alessandro Genoni, Marco A C Neves, et al.Journal of Chemical Education|August 25, 2015
Implementation of Protocols To Enable Doctoral Training in Physical and Computational Chemistry of a Blind Graduate StudentMona S Minkara, Michael N Weaver, Jim Gorske, et al.The Journal of Physical Chemistry. A|October 6, 2009
AM1 parameters for the prediction of 1H and 13C NMR chemical shifts in proteinsDuane E Williams, Martin B Peters, Bing Wang, et al.Journal of Natural Products|March 7, 2009
Relative configuration of natural products using NMR chemical shiftsBing Wang, Aaron T Dossey, Spencer S Walse, et al.Journal of the American Chemical Society|October 20, 2011
Simulations of allosteric motions in the zinc sensor CzrADhruva K Chakravorty, Bing Wang, Chul Won Lee, et al.Biochemistry|December 23, 2015
Metal Ion Capture Mechanism of a Copper MetallochaperoneDhruva K Chakravorty, Pengfei Li, Trang T Tran, et al.Journal of Chemical Information and Modeling|June 20, 2020
Validation of Free Energy Methods in AMBERHsu-Chun Tsai, Yujun Tao, Tai-Sung Lee, et al.Pageof 50