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Page 1
Peptide crystal simulations reveal hidden dynamics.
Janowski PA, Cerutti DS, Holton J, Case DA. Janowski PA, et al. Among authors: case da. J Am Chem Soc. 2013 May 29;135(21):7938-48. doi: 10.1021/ja401382y. Epub 2013 May 16. J Am Chem Soc. 2013. PMID: 23631449 Free PMC article.
All-atom crystal simulations of DNA and RNA duplexes.
Liu C, Janowski PA, Case DA. Liu C, et al. Among authors: case da. Biochim Biophys Acta. 2015 May;1850(5):1059-1071. doi: 10.1016/j.bbagen.2014.09.018. Epub 2014 Sep 26. Biochim Biophys Acta. 2015. PMID: 25255706 Free PMC article.
NMR Exchange Format: a unified and open standard for representation of NMR restraint data.
Gutmanas A, Adams PD, Bardiaux B, Berman HM, Case DA, Fogh RH, Güntert P, Hendrickx PM, Herrmann T, Kleywegt GJ, Kobayashi N, Lange OF, Markley JL, Montelione GT, Nilges M, Ragan TJ, Schwieters CD, Tejero R, Ulrich EL, Velankar S, Vranken WF, Wedell JR, Westbrook J, Wishart DS, Vuister GW. Gutmanas A, et al. Among authors: case da. Nat Struct Mol Biol. 2015 Jun;22(6):433-4. doi: 10.1038/nsmb.3041. Nat Struct Mol Biol. 2015. PMID: 26036565 Free PMC article. No abstract available.
CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field.
Lee J, Cheng X, Swails JM, Yeom MS, Eastman PK, Lemkul JA, Wei S, Buckner J, Jeong JC, Qi Y, Jo S, Pande VS, Case DA, Brooks CL 3rd, MacKerell AD Jr, Klauda JB, Im W. Lee J, et al. Among authors: case da. J Chem Theory Comput. 2016 Jan 12;12(1):405-13. doi: 10.1021/acs.jctc.5b00935. Epub 2015 Dec 3. J Chem Theory Comput. 2016. PMID: 26631602 Free PMC article.
248 results