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James J P Stewart

Showing results (1-10 of 24) with videos related to

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Journal of Molecular Modeling|October 8, 2016
A method for predicting individual residue contributions to enzyme specificity and binding-site energies, and its application to MTH1James J P Stewart
Journal of Molecular Modeling|September 11, 2007
Optimization of parameters for semiempirical methods V: modification of NDDO approximations and application to 70 elementsJames J P Stewart
Journal of Molecular Modeling|December 28, 2018
An examination of the nature of localized molecular orbitals and their value in understanding various phenomena that occur in organic chemistryJames J P Stewart
Journal of Molecular Modeling|November 29, 2012
Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parametersJames J P Stewart
Journal of Molecular Modeling|May 2, 2008
Application of the PM6 method to modeling the solid stateJames J P Stewart
Journal of Molecular Modeling|December 5, 2003
Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formationJames J P Stewart
Journal of Molecular Modeling|March 5, 2004
Optimization of parameters for semiempirical methods IV: extension of MNDO, AM1, and PM3 to more main group elementsJames J P Stewart
Journal of Molecular Modeling|April 6, 2017
An investigation into the applicability of the semiempirical method PM7 for modeling the catalytic mechanism in the enzyme chymotrypsinJames J P Stewart
Journal of Molecular Modeling|December 11, 2008
Application of the PM6 method to modeling proteinsJames J P Stewart
Journal of Molecular Modeling|March 13, 2026
Computational chemistry methods based on MNDO and tools for improving their accuracyJames J P Stewart
Pageof 3

Showing results (1-10 of 24) with videos related to

Sort By:
Pageof 3
Journal of Molecular Modeling|October 8, 2016
A method for predicting individual residue contributions to enzyme specificity and binding-site energies, and its application to MTH1James J P Stewart
Journal of Molecular Modeling|September 11, 2007
Optimization of parameters for semiempirical methods V: modification of NDDO approximations and application to 70 elementsJames J P Stewart
Journal of Molecular Modeling|December 28, 2018
An examination of the nature of localized molecular orbitals and their value in understanding various phenomena that occur in organic chemistryJames J P Stewart
Journal of Molecular Modeling|November 29, 2012
Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parametersJames J P Stewart
Journal of Molecular Modeling|May 2, 2008
Application of the PM6 method to modeling the solid stateJames J P Stewart
Journal of Molecular Modeling|December 5, 2003
Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formationJames J P Stewart
Journal of Molecular Modeling|March 5, 2004
Optimization of parameters for semiempirical methods IV: extension of MNDO, AM1, and PM3 to more main group elementsJames J P Stewart
Journal of Molecular Modeling|April 6, 2017
An investigation into the applicability of the semiempirical method PM7 for modeling the catalytic mechanism in the enzyme chymotrypsinJames J P Stewart
Journal of Molecular Modeling|December 11, 2008
Application of the PM6 method to modeling proteinsJames J P Stewart
Journal of Molecular Modeling|March 13, 2026
Computational chemistry methods based on MNDO and tools for improving their accuracyJames J P Stewart
Pageof 3