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Most drugs act on biomacromolecules. The Cost of developing new drugs is very high. A method to accurately predict binding affinities would be very useful. We have studied molecular mechanics with generalised Born and surface--area solvation (MM/GBSA) and alchemical free energy perturbation methods (FEP) for use in calculations of ligand binding energies. For the MM/GBSA method we have tested: Ca

https://www.ub.lu.se/accessibility-lubito - 2026-07-15

Research on violence on digital platforms have focused on how perpetrators exploit ano-nymity, Geo-tracking, blackmail and other tools to abuse a victim online and very little re-search has been done in regards on how society and organisations protect the victims. This thesis explores what organisations that work with domestic violence victims experience when it comes to digital technology. Four u

X-rays allow to non-destructively investigate biological, chemical or physical processes at thenano-scale. Their high penetration depth in matter allows to investigate samples even in-side sample environments, which would be difficult with complementary methods such astransmission electron microscopy (TEM). The microscopy technique ptychography has beenestablished in X-rayX-rays allow to non-destructively investigate biological, chemical or physical processes at the nano-scale. Their high penetration depth in matter allows to investigate samples even inside sample environments, which would be difficult with complementary methods such as transmission electron microscopy (TEM). The microscopy technique ptychography has been established in X-ray imaging in recent year

We study, from an experimental point of view, the main ways to detect standard high mass Higgs bosons (from 300 Gev up to about 1 TeV) when they decay into W- and Z- pairs at the SSC. We also consider the corresponding W- and Z”-pair continuum which may itself provide interesting physics, and we pay some attention to the case of an intermediate mass charged Higgs decaying into rvr, (met =300 GeV).

https://www.msf.lu.se/mr-physics-group/members - 2026-07-15

Micro or even nano-scale solid particles are applied in porous structures in different energy systems, such as fuel cells, for the objectives to enhance the catalytic reaction activities and improve the fuel utilization efficiency or/and reduce the pollutants. In addition to the charge transport and reactions, heat transfer processes in fuel cell porous electrodes are strongly affected by the smal

PowerPoint Presentation LUND UNIVERSITY | CenCIP | Jonas Johansson | 2016-04-14 Kritiska Infrastrukturers Sårbarhet – Forskning vid CenCIP PRESENTATION, SAMGIS SKÅNE, TRELLEBORG, 20160414 Jonas Johansson LUND UNIVERSITY | CenCIP | Jonas Johansson | 2016-04-14 CenCIP Centre for Critical Infrastructure Protection Research 2015-2020 LUND UNIVERSITY | CenCIP | Jonas Johansson | 2016-04-14 Bakgrund til

https://www.cencip.lu.se/sites/cencip.lu.se/files/presentation_samgis_trelleborg_20160413.pdf - 2026-07-16

Extracellular electron transfer (EET) in microbial cells is essential for certain biotechnological applications and contributes to the biogeochemical cycling of elements and syntrophic microbial metabolism in complex natural environments. The Gram-positive lactic acid bacterium Enterococcus faecalis, an opportunistic human pathogen, is shown to be able to transfer electrons generated in fermentati

Porphyrins have become an interesting class of molecules in studies of molecular electronics. They are, however, sensitive to handling procedures and may give different results in electronic or optical properties depending on the method used for coupling or adsorption. We present electronic measurements of a heme porphyrin mounted in a biomolecular structure-an enzyme-and show that a direct electr