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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.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.Organic Letters|October 8, 2010
Novel acyclic diaminocarbene ligands with increased steric demand and their application in gold catalysisHwimin Seo, Benjamin P Roberts, Khalil A Abboud, 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.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.Scientific Reports|October 15, 2025
Designing and field calibration of low-cost microcontroller-based soil moisture sensor for subsurface drip-irrigation systemAmina Raheja, Rakesh Sharda, Sunil Garg, et al.Journal of Chemical Information and Modeling|June 28, 2019
Using AMBER18 for Relative Free Energy CalculationsLin Frank Song, Tai-Sung Lee, Chun Zhu, 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.Pageof 25