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Long-range interactions and parallel scalability in molecular simulations

Typical biomolecular systems such as cellular membranes, DNA, and protein complexes are highly charged. Thus, efficient and accurate treatment of electrostatic interactions is of great importance in computational modeling of such systems. We have employed the GROMACS simulation package to perform extensive benchmarking of different commonly used electrostatic schemes on a range of computer archite

Quantitative evaluation of HIV-1 coreceptor use in the GHOST(3) cell assay

The utility of the GHOST(3) cell assay has been evaluated for testing coreceptor use of primary human immunodeficiency virus type 1 (HIV-1) isolates. GHOST(3) cells were derived from the human osteosarcoma cell line, HOS, and have been engineered to stably express CD4 and one or another of the chemokine receptors CCR3, CCR5, CXCR4, Bonzo, or the orphan receptor BOB. The Indicator cell line carries

Peptide folding and aggregation studied using a simplified atomic model

Using an atomic model with a simplified-sequence-based potential, the folding properties of several different peptides are studied. Both alpha-helical (Trp cage, F-s) and beta-sheet(GB1p, GB1m2, GB1m3, Betanova, LLM) peptides are considered. The model is able to fold these different peptides for one and the same choice of;parameters, and the melting behaviour of the peptides (folded population aga

Enantioseparation of D- and L-amino acids by a coupled system consisting of an ion-exchange column and a chiral column and determination of D-aspartic acid and D-glutamic acid in soy products

A coupled system, consisting of a conventional ion-exchange column and a chiral column, was used for separation of the D- and L-enantiomers as constituents of an amino acid mixture. The ion-exchange column was connected to an amino acid analyser and the eluents necessary for the chiral column were delivered by an HPLC pump. With this on-line system the D- and L-forms of eight of the proteinogenic

Waiting for orthopaedic surgery: factors associated with waiting times and patients' opinion

Objectives. To assess waiting times for three groups of orthopaedic patients in Sweden and to identify factors explaining variations in waiting time. Also examined were factors associated with patients' perceptions that waiting times were too long. Design. Retrospective study. Setting and study participants. Patients from orthopaedic units at 10 Swedish hospitals participated in the study. A quest

Acoustic excitation and transmission of lightweight structures

Popular Abstract in Swedish För att öka förståelsen för hur ljud sprider sig och strålar från byggnadskonstruktioner utförda i lättbyggnadsteknik så behövs teoretiska beräkningsmodeller. Sådana modeller presenteras i avhandlingen. Med lättbyggnadsteknik avses konstruktioner som inte är massiva, exempelvis väggar och bjälklag bestående av trä- eller stålreglar/bjälkar. Stegljudet, det vill säga detIn order to increase our knowledge of the sound transmission and radiation processes of lightweight wall and floor structures, theoretical models are needed. Detailed models may form a valuable tool. In lightweight floor structures, impact sound insulation is perhaps the most important property to consider. This thesis presents an overview of various solution strategies that may be useful in findi

Phylogenetic reconstruction of the Neotropical family Quiinaceae (Malpighiales) based on morphology with remarks on the evolution of an androdioecious sex distribution

Based on morphology, a cladistic analysis of the Neotropical family Quiinaceae (Malpighiales) was performed to generate a hypothesis of the phylogenetic relationships within the family. The monotypic Medusagynaceae and four species of Ochnaceae were used as outgroup. Using equal weights, the Quiinaceae find strong jackknife support and all genera, apart from Lacunaria. are monophyletic. Lacunaria

Effects of soil pH and phosphorus on in vitro pollen competitive ability and sporophytic traits in clones of Viola tricolor

Greenhouse-grown clones of Viola tricolor were used to evaluate the importance of genetic effects on in vit ro pollen tube growth rate in relation to the influence of two environmental soil factors-pH and phosphorus content. After 1 mo in different soil treatments, individual pollen tube growth rate was affected by a genotype by phosphorus interaction, while it was unaffected by either main effect

Essays on Capital Structure

Chapter 2 analyses the relationship between capital structure and industry classification of Swedish firms. This study also analyses the determinants of the capital structure at the industry level. Since the assumption required for a parametric analysis of variances are not satisfied, a nonparametric method is applied to test for cross-industry differences in capital structure. The results show th

Women's Human Rights and Islam : a Study of Three Attempts at Accommodation

Popular Abstract in Swedish Avhandlingen tar avstamp i en pågående internationell diskussion om kvinnors mänskliga rättigheter och islam. I denna diskussion kan olika muslimska ståndpunkter identifieras. En del avvisar mänskliga rättigheter, såsom dessa formulerats i internationella människorättsdokument, som ”västerländska” påfund och hävdar de religiösa källornas överordnade auktoritet. För andrThe dissertation focuses on interpretations of Islam that claim compatibility with international human rights norms in the context of women’s rights. These interpretations are seen as parts of an on-going contemporary international debate on women’s human rights and Islam that engages Muslims as well as non-Muslims. Existing UN-formulated international human rights schemes are a basic starting poi

On fire flames out of vertical openings

Some recent Swedish data on compartment fires are reviewed. Measured burning rates were as high as 7.7 A √ H kg/min where A is the opening area in m² and H is its height in m. A conventional power law is shown to relate the burning rate and the measured external flame length as well as does an empirical proportionality. The corrections to be allowed in both methods for the burning within the compa