المؤلفون: Kiyoshi Yagi (1290798), Shingo Ito (265855), Yuji Sugita (140032)

مصطلحات موضوعية: Biophysics, Biochemistry, Physiology, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, density, program, method, glyceraldehyde 3- phosphate, PMF, buffer MM region, MEP, calculation, converts dihyroxyacetone phosphate, GENESIS, performance, B 3LYP, DFTB vs B 3LYP, QM

Relation: https://figshare.com/articles/journal_contribution/Exploring_the_Minimum-Energy_Pathways_and_Free-Energy_Profiles_of_Enzymatic_Reactions_with_QM_MM_Calculations/14512092

الاتاحة: https://doi.org/10.1021/acs.jpcb.1c01862.s001

المؤلفون: Kiyoshi Yagi (1290798), Shingo Ito (265855), Yuji Sugita (140032)

مصطلحات موضوعية: Biophysics, Biochemistry, Physiology, Infectious Diseases, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, density, program, method, glyceraldehyde 3- phosphate, PMF, buffer MM region, MEP, calculation, converts dihyroxyacetone phosphate, GENESIS, performance, B 3LYP, DFTB vs B 3LYP, QM

Relation: https://figshare.com/articles/media/Exploring_the_Minimum-Energy_Pathways_and_Free-Energy_Profiles_of_Enzymatic_Reactions_with_QM_MM_Calculations/14512095

الاتاحة: https://doi.org/10.1021/acs.jpcb.1c01862.s002