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GROMACS: fast, flexible, and free.
Van Der Spoel D, Lindahl E, Hess B, Groenhof G, Mark AE, Berendsen HJ. Van Der Spoel D, et al. J Comput Chem. 2005 Dec;26(16):1701-18. doi: 10.1002/jcc.20291. J Comput Chem. 2005. PMID: 16211538
Protein structures under electrospray conditions.
Patriksson A, Marklund E, van der Spoel D. Patriksson A, et al. Among authors: van der spoel d. Biochemistry. 2007 Jan 30;46(4):933-45. doi: 10.1021/bi061182y. Biochemistry. 2007. PMID: 17240977
Speeding up parallel GROMACS on high-latency networks.
Kutzner C, van der Spoel D, Fechner M, Lindahl E, Schmitt UW, de Groot BL, Grubmüller H. Kutzner C, et al. Among authors: van der spoel d. J Comput Chem. 2007 Sep;28(12):2075-84. doi: 10.1002/jcc.20703. J Comput Chem. 2007. PMID: 17405124
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