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Journal of Chemical Theory and Computation|August 29, 2020
Receptor-Ligand Binding Free Energies from a Consecutive Histograms Monte Carlo Sampling MethodHao Liu, Jianpeng Deng, Zhou Luo, et al.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.Journal of Chemical Information and Modeling|April 24, 2025
Aliphatic Polyester Recognition and Reactivity at the Active Cleft of a Fungal CutinasePietro Vidossich, Madushanka Manathunga, Andreas W Götz, et al.Chemical Communications (Cambridge, England)|September 17, 2020
Selective ring-rearrangement or ring-closing metathesis of bicyclo[3.2.1]octenesEvgeniya Semenova, Ouidad Lahtigui, Sarah K Scott, 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.Proteins|November 29, 2016
A molecular dynamics study of the binary complexes of APP, JIP1, and the cargo binding domain of KLCCooper A Taylor, Bill R Miller, Soleil S Shah, et al.Structure (London, England : 1993)|July 28, 2015
The Closing Mechanism of DNA Polymerase I at Atomic ResolutionBill R Miller, Lorena S Beese, Carol A Parish, et al.Biochemistry|June 23, 2020
Novel Noncompetitive Type Three Secretion System ATPase Inhibitors Shut Down Shigella Effector SecretionHeather B Case, Dominic S Mattock, Bill R Miller, et al.Pageof 37