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Journal of Chemical Theory and Computation|September 6, 2018
Generation of Pairwise Potentials Using Multidimensional Data MiningZheng Zheng, Jun Pei, Nupur Bansal, 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.The Journal of Physical Chemistry. B|January 16, 2024
Thermodynamics of Metal-Acetate InteractionsMajid Jafari, Zhen Li, Lin Frank Song, et al.Proceedings of the National Academy of Sciences of the United States of America|March 1, 2006
X-ray diffraction "fingerprinting" of DNA structure in solution for quantitative evaluation of molecular dynamics simulationXiaobing Zuo, Guanglei Cui, Kenneth M Merz, et al.Nature Communications|November 8, 2024
Molecular insights into substrate translocation in an elevator-type metal transporterYao Zhang, Majid Jafari, Tuo Zhang, et al.Journal of Chemical Information and Modeling|July 17, 2020
MRP.py: A Parametrizer of Post-Translationally Modified ResiduesPatrick G Sahrmann, Patrick H Donnan, Kenneth M Merz, et al.Pageof 25