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Interface surface patches

Zhou and Shan [29] and Fariselli et al. [26] employed neural networks to combine sequence and structural information for the prediction of whether a residue is located in an interaction site of a protein with a known structure. Bradford et al. [30] used a Support Vector Machine approach to identify interface residues using sequence neighbors. In both cases, the interaction surfaces are represented as surface patches of neighboring residues with their associated sequence profiles (derived from multiple alignments). The accuracy of these methods is 70% for interaction-surface prediction. [Pg.233]

Interface Capturing Schemes for Free-Surface Flows, Fig. 2 Schematic of surface patch S bounded by directed curve C... [Pg.1421]

While the attraction of large anions to water-vapour interfaces is now well established, the situation for complex molecular surfaces is less scrutinised. Solvated, globular proteins are mainly hydrophilic in nature but an appreciable number of nonpolar residues can be present even at the solvent-exposed molecular surface (see Fig. 4). With the situation at the water-vapour interface in mind indeed it is imaginable that large anions exhibit a similar attraction to such nonpolar surface patches. [Pg.224]

Qualitative examples abound. Perfect crystals of sodium carbonate, sulfate, or phosphate may be kept for years without efflorescing, although if scratched, they begin to do so immediately. Too strongly heated or burned lime or plaster of Paris takes up the first traces of water only with difficulty. Reactions of this type tend to be autocat-alytic. The initial rate is slow, due to the absence of the necessary linear interface, but the rate accelerates as more and more product is formed. See Refs. 147-153 for other examples. Ruckenstein [154] has discussed a kinetic model based on nucleation theory. There is certainly evidence that patches of product may be present, as in the oxidation of Mo(lOO) surfaces [155], and that surface defects are important [156]. There may be catalysis thus reaction VII-27 is catalyzed by water vapor [157]. A topotactic reaction is one where the product or products retain the external crystalline shape of the reactant crystal [158]. More often, however, there is a complicated morphology with pitting, cracking, and pore formation, as with calcium carbonate [159]. [Pg.282]

Initial attempts to spread the amide as a monolayer film on aqueous subphases failed. Since patches of microcrystals could be observed by careful inspection, it was concluded that the aggregation forces in the sohd phase were too great to permit significant expansion of the molecules onto the adjacent surface of the air-water interface. It is well known that amides are weak bases that are protonated on the carbonyl oxygen by moderately strong aqueous acid. Accordingly, a series of subphases prepared from carefully purified sulfuric acid-... [Pg.245]


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