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Mobility-based prediction of hydration structures of protein surfaces.
Jeszenői N, Horváth I, Bálint M, van der Spoel D, Hetényi C. Jeszenői N, et al. Among authors: van der spoel d. Bioinformatics. 2015 Jun 15;31(12):1959-65. doi: 10.1093/bioinformatics/btv093. Epub 2015 Feb 13. Bioinformatics. 2015. PMID: 25682067
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
A temperature predictor for parallel tempering simulations.
Patriksson A, van der Spoel D. Patriksson A, et al. Among authors: van der spoel d. Phys Chem Chem Phys. 2008 Apr 21;10(15):2073-7. doi: 10.1039/b716554d. Epub 2008 Feb 25. Phys Chem Chem Phys. 2008. PMID: 18688361
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