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91.
92.
Mekonnen SM Olufsen M Smalås AO Brandsdal BO 《Journal of molecular graphics & modelling》2006,25(2):176-185
The role of the primary binding residue (P1) in complexes between three different subtilases (subtilisin Carlsberg, thermitase and proteinase K) and their canonical protein inhibitor eglin c have been studied by free energy calculations. Based on the crystal structures of eglin c in complex with subtilisin Carlsberg and thermitase, and a homology model of the eglin c-proteinase K complex, a total of 57 mutants have been constructed and docked into their host proteins. The binding free energy was then calculated using molecular dynamics (MD) simulations combined with the linear interaction energy (LIE) method for all complexes differing only in the nature of the amino acid at the P1 position. LIE calculations for 19 different complexes for each subtilase were thus carried out excluding proline. The effects of substitutions at the P1 position on the binding free energies are found to be very large, and positively charged residues (Arg, Lys and His) are particularly deleterious for all three enzymes. The charged variants of the acidic side chains are found to bind more favorably as compared to their protonated states in all three subtilases. Furthermore, hydrophobic amino acids are accommodated most favorably at the S1-site in all three enzymes. Comparison of the three series of binding free energies shows only minor differences in the 19 computed relative binding free energies among these subtilases. This is further reflected in the correlation coefficient between the 23 relative binding free energies obtained, including the possible protonation states of ionizable side chains, but excluding the P1 Pro, for subtilisin Carlsberg versus thermitase (0.95), subtilisin versus proteinase K (0.94) and thermitase versus proteinase K (0.96). 相似文献
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96.
Point location is an extremely well-studied problem both in internal memory models and recently also in the external memory model. In this paper, we present an I/O-efficient dynamic data structure for point location in general planar subdivisions. Our structure uses linear space to store a subdivision with N segments. Insertions and deletions of segments can be performed in amortized O(log? B N) I/Os and queries can be answered in $O(\log_{B}^{2} N)$ I/Os in the worst-case. The previous best known linear space dynamic structure also answers queries in $O(\log_{B}^{2} N)$ I/Os, but only supports insertions in amortized $O(\log_{B}^{2} N)$ I/Os. Our structure is also considerably simpler than previous structures. 相似文献
97.
Stefan Kiefer Andrzej S. Murawski Jo?l Ouaknine Bj?rn Wachter James Worrell 《Formal Aspects of Computing》2012,24(4-6):671-678
Herman’s algorithm is a synchronous randomized protocol for achieving self-stabilization in a token ring consisting of N processes. The interaction of tokens makes the dynamics of the protocol very difficult to analyze. In this paper we study the distribution of the time to stabilization, assuming that there are three tokens in the initial configuration. We show for arbitrary N and for an arbitrary timeout t that the probability of stabilization within time t is minimized by choosing as the initial three-token configuration the configuration in which the tokens are placed equidistantly on the ring. Our result strengthens a corollary of a theorem of McIver and Morgan (Inf. Process Lett. 94(2): 79–84, 2005), which states that the expected stabilization time is minimized by the equidistant configuration. 相似文献
98.
Several studies have documented the occurrence of high ventilation rates during cardiopulmonary resuscitation, but to date, there have been no scientific investigation of the causes of hyperventilation. The objective of the current study was to test the effects of socio-emotional stressors on lay rescuers' ventilation rate in a simulated resuscitation setting using a manikin model. A within-subjects experiment with randomized order of conditions tested lay rescuers' ventilation rate on an intubated manikin during exposure to socio-emotional stressors and during a control condition where no external stressors were present. Ventilation rates and subjective workload were significantly higher during exposure to socio-emotional stressors than during the control condition. All but one of the nine participants ventilated at a higher ventilation rate in the experimental condition. All nine participants rated the subjective workload to be higher during exposure to socio-emotional stressors. Hence, exposure to socio-emotional stressors is associated with increased ventilation rates performed by lay rescuers during simulated cardiac arrest using a manikin model. These findings might have implications for the understanding of the type of situations which hyperventilation may occur. Awareness of these situations may have implications for training of lay rescues. 相似文献
99.
Rasmussen CD Jørgensen MB Carneiro IG Flyvholm MA Olesen K Søgaard K Holtermann A 《Ergonomics》2012,55(2):256-264
Worksite health promotion is seldom offered to workers who are low-educated and multi-ethnic, possibly due to an assumption that they are more reluctant to participate. Furthermore, little has been done to promote health at female-dominated workplaces. The main aim of this study was to investigate differences in participation among immigrant and Danish cleaners throughout a 1-year randomised controlled study tailored to cleaners and carried out in predominantly female workplaces. No significant differences in ethnicity were found in consent and participation throughout the 1-year intervention. Dropout was equally distributed among Danish and immigrant cleaners. This study indicates that a worksite health promotion intervention among a female-dominated, high-risk occupation such as cleaning can be equally appealing for Danes and immigrants. PRACTITIONER SUMMARY: This study provides insight about participation of Danish and immigrant cleaners in a worksite health promotion intervention in a predominantly female occupation. For attaining high participation and low dropout in future worksite health promotion interventions among cleaners, the intervention ought to not only target the ethnic background of the workers, but also to be specifically tailored to the job group. 相似文献
100.
Jørgensen MB Faber A Jespersen T Hansen K Ektor-Andersen J Hansen JV Holtermann A Søgaard K 《Ergonomics》2012,55(7):762-772
This study evaluates the implementation of physical coordination training (PCT) and cognitive behavioural training (CBTr) interventions in a randomised controlled trial at nine cleaners' workplaces. Female cleaners (n = 294) were randomised into a PCT, a CBTr or a reference (REF) group. Both 12-week interventions were performed in groups guided by an instructor. Records were kept on intervention dose (adherence) unanticipated events at the work place (context) and quality of intervention delivery (fidelity). Participant adherence was 37% in the PCT and 49% in the CBTr interventions. Optimal implementation was reached by only 6% in PCT and 42% in the CBTr. Analysis of the barriers to successful implementation indicated that the intervention process is sensitive to unanticipated events. In order to succeed in improving the health of high-risk populations such as cleaners and to correctly interpret intervention effects, more research on implementation is needed. Trial registration: ISRCTN96241850. PRACTITIONER SUMMARY: Both physical coordination training and cognitive behavioural training are potential effective workplace interventions among low educated job groups with high physical work demands. However, thorough consideration should be given to feasibility in the design of interventions. The optimal intervention should be tailored to closely match the implementation context and be robust and flexible to minimise susceptibility to changes in work organisation. 相似文献