Rational drug design is predicated on knowledge of the three-dimensional structure of the protein-ligand complex and the thermodynamics of ligand binding. Despite the fundamental importance of both enthalpy and entropy in driving ligand binding, the role of conformational entropy is rarely addressed in drug design. In this work, we have probed the conformational entropy and its relative contributi

Abstract in UndeterminedInside a tunnel, electromagnetic wave propagation differs strongly from the well understood "open-air" situation. The characterization of the tunnel environment is crucial for deploying vehicular communication systems. In this paper we evaluate vehicle-to-vehicle (V2V) radio channel measurements inside a tunnel. We estimate the time-varying root mean square (rms) delay and

One of the more fascinating phenomena in nature is animal mass migrations and in oceans and freshwaters, diel variations in depth distribution of zooplankton are a phenomenon that has intrigued scientists for more than a century. In our study, we show that zooplankton are able to assess the threat level of ultraviolet radiation and adjust their depth distribution to this level at a very fine tuned

The energy extraction efficiency is a figure of merit for a free-electron laser (FEL). It can be enhanced by the technique of undulator tapering, which enables the sustained growth of radiation power beyond the initial saturation point. In the development of a single-pass x-ray FEL, it is important to exploit the full potential of this technique and optimize the taper profile aw(z). Our approach t

This paper provides technical documentation of the Development Policy Evaluation Model (DEVPEM model). It contains a discussion of the theoretical building blocks of the model; an overview of the data sources used for the simulations; and explanations of how household groups are categorized and how the model is calibrated. Finally it describes the design of the agricultural policy simulations that

Background: Neuroblastoma (NB) tumours are commonly divided into three cytogenetic subgroups. However, by unsupervised principal components analysis of gene expression profiles we recently identified four distinct subgroups, r1-r4. In the current study we characterized these different subgroups in more detail, with a specific focus on the fourth divergent tumour subgroup (r4). Methods: Expression

This paper explores the role of relationships in the emergence of a network's value creation structure. The strategic navigation from creative exploration to global exploitation through the use of so-called transformation networks is particularly highlighted. The creativity phase requires a creator with visionary leadership. The commercialisation phase, on the other hand, requires technology integ

The significant defect-induced increase in transconductance at high frequencies in some III-V MOSFETs is utilized to reveal the spatial distribution and energy profile of traps in the gate dielectric. The frequency response of the border traps is modeled as a distributed RC network inserted in the small signal model. Surface-channel InGaAs MOSFETs with Al2O3/HfO2 high-k gate dielectric are evaluat

The influence of exciton-vibrational coupling on the optical and transport properties of molecular aggregates is an old problem that gained renewed interest in recent years. On the experimental side, various nonlinear spectroscopic techniques gave insight into the dynamics of systems as complex as photosynthetic antennae. Striking evidence was gathered that in these protein-pigment complexes quant

The overall aim of this thesis was to analyse the importance of co-morbidity level for different aspects of primary health care (PHC) using a measure of co-morbidity. Paper I examines whether there were differences in referral rates from different Lithuanian PHC models after adjustment for co-morbidity level. Paper II assesses to what extent the co-morbidity level could explain concurrent costs in

We demonstrate changes in ecosystem stable states in a coastal lagoon that are consistent with what a regime shift would hypothesize. In the nutrient-stressed Ringkobing Fjord, Denmark, a small change in one variable (salinity) facilitated by a change in sluice management, caused a sudden regime shift from a bottom-up controlled turbid state, into a top-down controlled clear-water state. The chang

We compute the Hausdorff and Minkowski dimension of subsets of the symbolic space Sigma(m) ={0, ... , m-1}(N) that are invariant under multiplication by integers. The results apply to the sets {x is an element of Sigma(m): for all k, x(k)x(2k) ... x(nk) = 0}, where n >= 3. We prove that for such sets, the Hausdorff and Minkowski dimensions typically differ.

Lund University, Sweden, is the only seat of learning having Sociology of Law (hereafter SoL) at all levels in Europe. SoL was initiated in 1972 as a department at the Social Science Faculty, with professor Per Stjernquist as chair. Later on, for some 10 years, SoL was a division within the department of Sociology but from January 2006, SoL is an autonomous department at the Social Science Faculty