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Journal of Chemical Information and Modeling|June 8, 2011
Evaluation of several two-step scoring functions based on linear interaction energy, effective ligand size, and empirical pair potentials for prediction of protein-ligand binding geometry and free energyObaidur Rahaman, Trilce P Estrada, Douglas J Doren, et al.The Journal of Physical Chemistry. A|February 26, 2010
Development of a ReaxFF reactive force field for aqueous chloride and copper chlorideObaidur Rahaman, Adri C T van Duin, Vyacheslav S Bryantsev, et al.The Journal of Physical Chemistry. A|August 17, 2010
Development and validation of a ReaxFF reactive force field for Cu cation/water interactions and copper metal/metal oxide/metal hydroxide condensed phasesAdri C T van Duin, Vyacheslav S Bryantsev, Mamadou S Diallo, et al.Pageof 2