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Computational Science and Engineering Online (CSE-Online): A Cyber-Infrastructure for Scientific Computing.

, , , , , , , , , , , , , , , , and . J. Chem. Inf. Model., 46 (3): 971-984 (2006)

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TheRate: Program for ab initio direct dynamics calculations of thermal and vibrational-state-selected rate constants., , and . J. Comput. Chem., 19 (9): 1039-1052 (1998)Density functional theory study on mechanisms of epoxy-phenol curing reaction., , , , , and . J. Comput. Chem., 35 (22): 1630-1640 (2014)Molecular Dynamics Simulations Suggest that Electrostatic Funnel Directs Binding of Tamiflu to Influenza N1 Neuraminidases., , , , and . PLoS Comput. Biol., (2010)Computational Engineering and Science Program at the University of Utah., , , , and . International Conference on Computational Science, volume 3039 of Lecture Notes in Computer Science, page 1202. Springer, (2004)Discover binding pathways using the sliding binding-box docking approach: application to binding pathways of oseltamivir to avian influenza H5N1 neuraminidase., , and . J. Comput. Aided Mol. Des., 27 (8): 689-695 (2013)Optimizing efficiency of perturbative Monte Carlo method., and . J. Comput. Chem., 19 (14): 1632-1638 (1998)Computational Science and Engineering Online (CSE-Online): A Cyber-Infrastructure for Scientific Computing., , , , , , , , , and 7 other author(s). J. Chem. Inf. Model., 46 (3): 971-984 (2006)Density functional theory study of mechanism of epoxy-carboxylic acid curing reaction., , , and . J. Comput. Chem., 38 (14): 1093-1102 (2017)Application of Chemical Graph Theory for Automated Mechanism Generation., and . J. Chem. Inf. Comput. Sci., 43 (1): 36-44 (2003)An Integrated Web-based Grid-Computing Environment for Research and Education in Computational Science and Engineering.. Annual Simulation Symposium, page 143-148. IEEE Computer Society, (2004)