Revista de farmácia e bioquímica da Universidade de São Paulo, Volumes 29-32Faculdade de Ciências Farmacêuticas da Universidade de São Paulo., 1993 |
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Page 42
TABLE I. Comparison of the electrostatic energy terms for Ace - X - NMe MMFF MOLSIV AMBER CHARMM Edist Ace - X - NMea Eolst Erot Exa E tot -19.1 -23.7 -21.2 -25.1 Ala Thr Dopa Ala - Ala ( C100 ) Ala - Ala ( Czar ) Thr - Thr Thr - Dopa ...
TABLE I. Comparison of the electrostatic energy terms for Ace - X - NMe MMFF MOLSIV AMBER CHARMM Edist Ace - X - NMea Eolst Erot Exa E tot -19.1 -23.7 -21.2 -25.1 Ala Thr Dopa Ala - Ala ( C100 ) Ala - Ala ( Czar ) Thr - Thr Thr - Dopa ...
Page 44
... Table II , while the van der Waals energy is increased by 30-40 kcal / mol for case A. E decreases by 53 kcal / mol when going from case A to B with Є = 1 , and the corresponding decrease is 4 kcal / mol with Є = 15 . clst A comparison ...
... Table II , while the van der Waals energy is increased by 30-40 kcal / mol for case A. E decreases by 53 kcal / mol when going from case A to B with Є = 1 , and the corresponding decrease is 4 kcal / mol with Є = 15 . clst A comparison ...
Page 45
... Table IV is that there is no stable tridecamer conformation that simultaneously maintains a specific type of ... Table V lists the hydrogen bonds which can be cooperative in favoring the formation of one another . Fig . 5 shows there is ...
... Table IV is that there is no stable tridecamer conformation that simultaneously maintains a specific type of ... Table V lists the hydrogen bonds which can be cooperative in favoring the formation of one another . Fig . 5 shows there is ...
Contents
Trabalho de RevisãoReviews | 1 |
Trabalhos originaisOriginal papers | 11 |
LEILIANE COELHO ANDRÉ AMORIM EDNA MARIA ALVAREZLEITE Determinação de ortocresol 1520 | 15 |
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