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Molecular dynamics simulations, binding free energy calculations, principle component analysis (PCA), and residue interaction network analysis were employed in order to investigate the molecular mechanism of M184I single mutation which played pivotal role in making the HIV-1 reverse transcriptase (RT) totally resistant to lamivudine. Results showed that single mutations at residue 184 of RT caused

Self-replication of amyloid fibrils via secondary nucleation is an intriguing physicochemical phenomenon in which existing fibrils catalyze the formation of their own copies. The molecular events behind this fibril surface-mediated process remain largely inaccessible to current structural and imaging techniques. Using statistical mechanics, computer modeling, and chemical kinetics, we show that th

The induced polarization (IP) effect can be studied using both galvanic and inductive methods. Here we study IP and its manifestation in transient electromagnetic (TEM) data from a tTEM system and in time-domain electric resistivity tomography (ERT) data. Since the two methods are sensitive to two different frequency ranges, a direct IP spectrum comparison is not possible. Instead, we assess the I

Purpose:The article makes an empirical and conceptual contribution to understanding the temporalities of information literacies. The paper aims to identify different ways in which anticipation of certain outcomes shapes strategies and tactics for engagement with algorithmic information intermediaries. The paper suggeststhat, given the dominance of predictive algorithms in society, information lite

The one-body density matrix has recently attracted considerable attention as a promising key quantity for the description of systems out of equilibrium. Its time evolution is given in terms of the two-body density matrix, and thus the central challenge is to find approximations to the latter. An extra layer of difficulty is added when dealing with strong electron correlations. In this work, we exp

The global nature of businesses has increased the geographical dispersion of operations and has made the location decision an important strategic perspective for manufacturing firms. The consensus view is that three major plant location factors must be kept in mind: (1) access to low-cost manufacturing, (2) proximity to market, and (3) access to development competences. Two options for changing th

The capability of wood-rotting fungi (WRF) to colonise contaminated soil is an important fungal characteristic in the development of WRF-based soil bioremediation, it is also important to have methods that monitor the presence of the WRF in the soil. In this lab-scale study, it was shown that it was possible to re-capture, localise and identify a brown-rot fungus, Antrodia vaillantii, after it has

Arctic tundra vegetation composition is expected to undergo rapid changes during the coming decades because of changes in climate. Higher air temperatures generally favor growth of deciduous shrubs, often at the cost of moss growth. Mosses are considered to be very important to critical tundra ecosystem processes involved in water and energy exchange, but very little empirical data are available.

Understanding the spatiotemporal distribution of birds is crucial for effective management and conservation of their populations. However, we still have only limited knowledge not only of the wintering destinations of many Iberian breeding migrants but also of aspects as general as the migratory behaviour of the populations of many common avian species that breed in the Iberian highlands. We used

Nature provides science and society with a virtually unlimited supply of structurally diverse and biologically active molecules; the natural products. While some are directly useful in commercial applications, others are valuable for studying and understanding biological phenomena at the molecular level. An example is the signaling of nerve cells, which has been explored in considerable detail usi

Weathering of soil minerals is important for the recovery from acidification and for the sustainability of forestry. However, there is still substantial uncertainty about its absolute rate. This study presents a harmonized comparison of field weathering rates estimated with the mechanistic model PROFILE and the depletion method for 16 intensively sampled soil profiles across Sweden representing di

Popular Abstract in Swedish Våra kroppar är uppbyggda av celler. Dessa celler har olika funktioner beroende på var i kroppen de finns. Varje cell tar upp näring, omvandlar den till energi, och energin används för att cellen ska kunna fortleva och utöva specialiserade funktioner samt eventuellt reproducera sig. Kolhydrater är viktiga beståndsdelar i celler. De flesta av oss förknippar kolhydrater Proteoglycans (PGs) is a class of highly anionic macromolecules that consist of one or more linear polysaccharide chains (glycosaminoglycans, GAGs) covalently attached to a core protein. The biological functions of PGs are mainly due to the interactions of GAG chains with various protein ligands and regulatory factors, such as cytokines and growth factors. PGs and GAGs are critical for a diverse s

The p53 tumor suppressor gene regulates growth arrest and apoptosis after DNA damage. Recent studies suggest that p53 is inactive in vascular smooth muscle cells (VSMCs) in human angioplasty restenosis, promoting VSMC accumulation and vessel stenosis. In contrast, the success of irradiation (brachytherapy) for in-stent restenosis argues that DNA-damage p53 responses are intact. We examined p53 exp

The generation of thrombin by the prothrombinase complex is a key event in coagulation. In this complex, the activated form of coagulation factor V (FVa) serves as an essential cofactor to factor Xa (FXa) in the activation of prothrombin to thrombin. The enzyme FXa is virtually ineffective in the absence of its cofactor. The assembly of FXa with its cofactor FVa on negatively charged phospholipid