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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.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.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.Communications Physics|October 13, 2025
Accurate quantum-centric simulations of intermolecular interactionsDanil Kaliakin, Akhil Shajan, Fangchun Liang, 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.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.Pageof 741