high performance productivity molecular simulations code
This is a github version of program Adun:
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Johnston, M. A., Galván, I. Fdez., & Villà‐Freixa, J. (2005). Framework‐based design of a new all‐purpose molecular simulation application: The Adun simulator. Journal of Computational Chemistry, 26(15), 1647–1659. https://doi.org/10.1002/jcc.20312
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Johnston, M. A., & Villà-Freixa, J. (2007). Enabling Data Sharing and Collaboration in Complex Systems Applications. In W. Dubitzky, A. Schuster, P. M. A. Sloot, M. Schroeder, & M. Romberg (Eds.), Distributed, High-Performance and Grid Computing in Computational Biology (pp. 124–140). Springer. https://doi.org/10.1007/978-3-540-69968-2_10
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Johnston, M. (2009). Development of a molecular simulator and its application to the study of biomolecular dynamics [Ph.D. Thesis, Universitat Pompeu Fabra]. In TDX (Tesis Doctorals en Xarxa). https://www.tdx.cat/handle/10803/7172