We have developed a method to dock a transition-state structure into the active site of an enzyme. Such an approach is more discriminative than standard docking when looking for substrates of an enzyme, because a transition state has more sterical restrictions than a nonreactive state. We use an accurate and tailored force field for the transition-state for the hydroxylation reaction in cytochrome

To optimize treatment of chronic hepatitis C early identification of patients who will not achieve a sustained virological response (SVR) is desirable. We investigated hepatitis C virus (HCV) RNA kinetics at day 1 (in 15 patients; genotypes 1 and non-1, 9 and 6 respectively) at weeks 1, 4 and 12 (in 53 patients; genotypes 1 and non-1, 19 and 34, respectively) during treatment with pegylated interf

Objective: To study the association between mode of delivery and neonatal outcome in singleton pregnancy with breech presentation and preterm birth, due to premature tabour (PTL) and/or preterm premature rupture of the membranes (pPROM). Design and methods: Information on preterm (gestational week 25-36) singleton births in breech presentation in Sweden during 1990-2002 was obtained from the Swedi

The purpose of this study was to investigate illness experiences of patients after a first myocardial infarction (MI), focusing on life situation and the recovery process over time. Thirty patients were interviewed within the first 3 days of hospitalisation, and again 17 weeks after discharge. The interviews were tape-recorded verbatim and the transcriptions were analysed and categorised using qua

Pain management is an important indicator of the quality of patient care. The aim of this study was to develop and test a questionnaire to assess the quality of pain management in acute care in Sweden with emphasis on validity and reliability, as well as pain severity, interference with function, and patient participation. A descriptive cross-sectional study was conducted with consecutively select

By using both mitochondrial and nuclear multiloci markers, we explored population genetic structure, gene flow and sex-specific dispersal of frillneck lizards (Chlamydosaurus kingii) sampled at three locations, separated by 10 to 50 km, in a homogenous savannah woodland in tropical Australia. Apart from a recombinant lizard, the mitochondrial analyses revealed two nonoverlapping haplotypes/populat

A prospective randomized double-blind trial was performed comparing conventional low-dose heparin with a low molecular weight heparin fragment for thromboprophylaxis in elective general abdominal surgical patients. The first dose of the heparin fragment was given the evening before surgery, and further doses were given thereafter every evening. There were 1002 analysable patients, 826 having recei

The Tyranny of Small Steps (TYST) behaviour has been investigated. Explained through a systemic perspective, the behaviour TYST is an unwanted change to a system through a series of small activities that may be independent from one another. These activities are small enough not to be detected by the 'surveillance' within the system, but significant enough to encroach upon the 'tolerance zone' of t

Objectives: Foam sclerotherapy of the great saphenous vein is a relatively new and promising treatment option for patients with axial reflux. Its usefulness may be limited by low primary occlusion rates. We present a standard technique for catheter-directed foam sclerotherapy, which facilitates foam delivery precisely to its intended site of action and potentially improves occlusion rates. Methods

BACKGROUND: Short body height is associated with increased risk for coronary heart disease; however, mechanisms are not fully explained. In this study, associations between body height and serum cholesterol, non-high-density lipoprotein (non-HDL cholesterol) and high-density lipoprotein (HDL cholesterol) were investigated. METHODS: Prospective cohort study of middle-aged men from Helsingborg, Swed

Results are presented from an experimental investigation to determine internal stress states perpendicular to grain in glulam induced by moisture variations. The stresses are determined by measuring the released strains before and after cutting. Stress distributions are determined for specimens seasoned in constant humidity, specimens exposed to an artificial single climate change, specimens expos

The process of selecting the right set of requirements for a product release is dependent on how well the organisation succeeds in prioritising the requirements candidates. This paper describes two consecutive controlled experiments comparing different requirements prioritisation techniques with the objective of understanding differences in time-consumption, ease of use and accuracy. The first exp

Objective. To compare implant survival rates after total hip arthroplasty with Exeter matte or polished steins and to determine the relationship of synovitis/joint effusion to signs of implant loosening and stein type. Material and methods. The first part of the study included retrospective revision rate analysis of 118 primary hip replacements performed during 1991-1995. Two different designs of

Sputum samples from 25 patients with bronchiectasis were assayed enzymatically for myeloperoxidase, neutrophil elastase and cathepsin B, and immunologically for cystatin A, cystatin B, cystatin C, cystatin S and kininogen. High myeloperoxidase and neutrophil elastase levels were found in those sputum samples that were assessed visually to be purulent. These samples were also found to contain high

The gas-phase high-resolution infrared spectrum of isothiazole in the range 600-1500 cm(-1) has been recorded, and revised band centres obtained for a number of vibrations. An analysis of the nu(11)(A') band at 818 cm(-1) and the nu(16)(A") band at 727cm(-1) has been performed, using the Watson Hamiltonian, A-reduction, IIIr representation. These were combined with previous microwave spectral data

Mantle cell lymphoma (MCL) is an aggressive lymphoid malignancy for which better treatment strategies are needed. To identify potential diagnostic and therapeutic targets, a signature consisting of MCL-associated genes was selected based on a comprehensive gene expression analysis of malignant and normal B cells. The corresponding protein epitope signature tags were identified and used to raise mo