van der Spoel D - Search Results

1

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit.

Pronk S, Páll S, Schulz R, Larsson P, Bjelkmar P, Apostolov R, Shirts MR, Smith JC, Kasson PM, van der Spoel D, Hess B, Lindahl E. Pronk S, et al. Among authors: van der spoel d. Bioinformatics. 2013 Apr 1;29(7):845-54. doi: 10.1093/bioinformatics/btt055. Epub 2013 Feb 13. Bioinformatics. 2013. PMID: 23407358 Free PMC article.

2

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

3

Reproducible polypeptide folding and structure prediction using molecular dynamics simulations.

Seibert MM, Patriksson A, Hess B, van der Spoel D. Seibert MM, et al. Among authors: van der spoel d. J Mol Biol. 2005 Nov 18;354(1):173-83. doi: 10.1016/j.jmb.2005.09.030. Epub 2005 Sep 29. J Mol Biol. 2005. PMID: 16236315

4

Thermodynamics of hydrogen bonding in hydrophilic and hydrophobic media.

van der Spoel D, van Maaren PJ, Larsson P, Tîmneanu N. van der Spoel D, et al. Among authors: van maaren pj. J Phys Chem B. 2006 Mar 9;110(9):4393-8. doi: 10.1021/jp0572535. J Phys Chem B. 2006. PMID: 16509740

5

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

6

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

7

Trajectory NG: portable, compressed, general molecular dynamics trajectories.

Spångberg D, Larsson DS, van der Spoel D. Spångberg D, et al. Among authors: van der spoel d. J Mol Model. 2011 Oct;17(10):2669-85. doi: 10.1007/s00894-010-0948-5. Epub 2011 Jan 26. J Mol Model. 2011. PMID: 21267752

8

GROMACS molecule & liquid database.

van der Spoel D, van Maaren PJ, Caleman C. van der Spoel D, et al. Among authors: van maaren pj. Bioinformatics. 2012 Mar 1;28(5):752-3. doi: 10.1093/bioinformatics/bts020. Epub 2012 Jan 11. Bioinformatics. 2012. PMID: 22238269

9

An efficient and extensible format, library, and API for binary trajectory data from molecular simulations.

Lundborg M, Apostolov R, Spångberg D, Gärdenäs A, van der Spoel D, Lindahl E. Lundborg M, et al. Among authors: van der spoel d. J Comput Chem. 2014 Jan 30;35(3):260-9. doi: 10.1002/jcc.23495. Epub 2013 Nov 20. J Comput Chem. 2014. PMID: 24258850

10

MemBuilder: a web-based graphical interface to build heterogeneously mixed membrane bilayers for the GROMACS biomolecular simulation program.

Ghahremanpour MM, Arab SS, Aghazadeh SB, Zhang J, van der Spoel D. Ghahremanpour MM, et al. Among authors: van der spoel d. Bioinformatics. 2014 Feb 1;30(3):439-41. doi: 10.1093/bioinformatics/btt680. Epub 2013 Nov 22. Bioinformatics. 2014. PMID: 24273238

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

125 results

Search Page