المؤلفون: Barrozo, Alexandre, Blaha-Nelson, David, Williams, Nicholas H., Kamerlin, Shina C. Lynn, 1981

المصدر: Pure and Applied Chemistry. 89(6):715-727

مصطلحات موضوعية: acetyl phosphate, density functional theory (DFT), ICPOC-23, metals in biology, methyl triphosphate, phosphate hydrolysis

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-329730
https://doi.org/10.1515/pac-2016-1125
https://uu.diva-portal.org/smash/get/diva2:1143312/FULLTEXT01.pdf

المؤلفون: Blaha-Nelson, David, Krüger, Dennis M., Szeler, Klaudia, Ben-David, Moshe, Kamerlin, Shina Caroline Lynn

المصدر: Journal of the American Chemical Society. 139(3):1155-1167

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-318603
https://uu.diva-portal.org/smash/get/diva2:1086012/FULLTEXT01.pdf

المؤلفون: Duarte, Fernanda, Amrein, Beat A., Blaha-Nelson, David, Kamerlin, Shina Caroline Lynn

المصدر: Biochimica et Biophysica Acta - General Subjects. 1850(5):954-965

مصطلحات موضوعية: Multiscale modeling, QM/MM free energy calculation, Averaging potential, Reference potential, Mean field approximation

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-251670
https://uu.diva-portal.org/smash/get/diva2:807780/FULLTEXT01.pdf