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Editorial overview: Theory and simulation and their new friends.
Shehu A, Van der Spoel D. Shehu A, et al. Among authors: van der spoel d. Curr Opin Struct Biol. 2021 Apr;67:iii-v. doi: 10.1016/j.sbi.2021.02.003. Epub 2021 Mar 8. Curr Opin Struct Biol. 2021. PMID: 33707064 No abstract available.
Systematic design of biomolecular force fields.
van der Spoel D. van der Spoel D. Curr Opin Struct Biol. 2021 Apr;67:18-24. doi: 10.1016/j.sbi.2020.08.006. Epub 2020 Sep 24. Curr Opin Struct Biol. 2021. PMID: 32980615 Free article. Review.
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
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
Subunit interface dynamics in hexadecameric rubisco.
van Lun M, van der Spoel D, Andersson I. van Lun M, et al. Among authors: van der spoel d. J Mol Biol. 2011 Sep 2;411(5):1083-98. doi: 10.1016/j.jmb.2011.06.052. Epub 2011 Jul 6. J Mol Biol. 2011. PMID: 21745478
125 results