DREID

Molecules are most commonly represented on a computer graphics screen using stick or space-filling representations, which are analogous to the Dreiding and Corey-PauUng-Koltun (CPK) mechanical models. Sophisticated variations on these two basic types have... 

DREIDING is an all-purpose organic or bio-organic molecule force field. It has been most widely used for large biomolecular systems. It uses five valence terms, one of which is an electrostatic term. The use of DREIDING has been dwindling with the introduction of improved methods. 

DPD (dissipative particle dynamics) a mesoscale algorithm DREIDING a molecular mechanics force field... 

Fig. 1. Stereostmeture of teicoplanin aglycone [89139-42-4] obtained from a Dreiding model (83) where is hydrogen, is nitrogen, O is carbon, is...

The absolute eonfiguration, (25, 45, 55 as shown or 2R,4R,5R), eannot be dedueed by NMR. For larger structures the insertion of the shift values and the coupling constants in the stereo projection of the struetural formula, from whieh one ean eonstruet a Dreiding model, proves useful in providing an overview of the stereoehemieal relationships. 

EDTA, leading to a postulate that more than one equivalent of Ca2+ can be captured by X (e.g. one Ca2+ sequestered by the three amines and the three carboxylates and another Ca2 + by the remaining half the donor groups), as the Dreiding model suggests. The fact that there was no interaction at neutral pH of X with phosphate or oxalate anions was separately confirmed. Thus, the dissolution of Ca3(P04)2 and Ca(C204) is entirely due to the cation complexation mechanism. 

Thermolysis of acyl azides and subsequent cyclization to give aziridines has been reported by Egli and Dreiding [39]. Heating of acylazide 34 (Scheme 3.11) in an autoclave afforded aziridine 35 in 74% yield [39]. 

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