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James J. P. Stewart

InstitutionUniversity of Colorado Colorado Springs

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    Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Faculty can login to make corrections and additions.
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    1. Stewart JJP. An investigation into the applicability of the semiempirical method PM7 for modeling the catalytic mechanism in the enzyme chymotrypsin. J Mol Model. 2017 May; 23(5):154. PMID: 28378242.
      View in: PubMed
    2. Ryan H, Carter M, Stenmark P, Stewart JJ, Braun-Sand SB. A comparison of X-ray and calculated structures of the enzyme MTH1. J Mol Model. 2016 07; 22(7):168. PMID: 27350386; PMCID: PMC4923096.
    3. Martin BP, Brandon CJ, Stewart JJ, Braun-Sand SB. Accuracy issues involved in modeling in vivo protein structures using PM7. Proteins. 2015 Aug; 83(8):1427-35. PMID: 25973843; PMCID: PMC4744657.
    4. Brandon CJ, Martin BP, McGee KJ, Stewart JJ, Braun-Sand SB. An approach to creating a more realistic working model from a protein data bank entry. J Mol Model. 2015 Jan; 21(1):3. PMID: 25605595; PMCID: PMC4578224.
    5. Stewart JJ. Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters. J Mol Model. 2013 Jan; 19(1):1-32. PMID: 23187683; PMCID: PMC3536963.
    6. Stewart JJ. Application of the PM6 method to modeling proteins. J Mol Model. 2009 Jul; 15(7):765-805. PMID: 19066990.
      View in: PubMed
    7. Stewart JJ. Application of the PM6 method to modeling the solid state. J Mol Model. 2008 Jun; 14(6):499-535. PMID: 18449579; PMCID: PMC2386531.
    8. Stewart JJ. Optimization of parameters for semiempirical methods V: modification of NDDO approximations and application to 70 elements. J Mol Model. 2007 Dec; 13(12):1173-213. PMID: 17828561; PMCID: PMC2039871.
    9. Stewart JJ. Optimization of parameters for semiempirical methods IV: extension of MNDO, AM1, and PM3 to more main group elements. J Mol Model. 2004 Apr; 10(2):155-64. PMID: 14997367.
      View in: PubMed
    10. Stewart JJ. Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation. J Mol Model. 2004 Feb; 10(1):6-12. PMID: 14655037.
      View in: PubMed
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