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Adventures in Improving the Scaling and Accuracy of a Parallel Molecular Dynamics Program., , , and . J. Supercomput., 11 (3): 255-278 (1997)The Amber biomolecular simulation programs., , , , , , , , , and . J. Comput. Chem., 26 (16): 1668-1688 (2005)The Impact of Heterogeneous Computing on Workflows for Biomolecular Simulation and Analysis., and . Comput. Sci. Eng., 17 (2): 30-39 (2015)iBIOMES Lite: Summarizing Biomolecular Simulation Data in Limited Settings., , and . Journal of Chemical Information and Modeling, 54 (6): 1810-1819 (2014)Quantum mechanically derived AMBER-compatible heme parameters for various states of the cytochrome P450 catalytic cycle., , , and . J. Comput. Chem., 33 (2): 119-133 (2012)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)RNA structure refinement and force field evaluation using molecular dynamics simulations., and . TG, page 3:1. ACM, (2011)Fostering Collaboration Among Organizations in the Research Computing and Data Ecosystem., , , , , , , , , and 2 other author(s). PEARC, page 393-401. ACM, (2020)Structural and Energetic Analysis of 2-Aminobenzimidazole Inhibitors in Complex with the Hepatitis C Virus IRES RNA Using Molecular Dynamics Simulations., , , and . Journal of Chemical Information and Modeling, 54 (6): 1758-1772 (2014)Using Wavelet Analysis To Assist in Identification of Significant Events in Molecular Dynamics Simulations., , , , and . J. Chem. Inf. Model., 56 (7): 1282-1291 (2016)