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Binding free energies in the SAMPL6 octa-acid host–guest challenge calculated with MM and QM methods

We have estimated free energies for the binding of eight carboxylate ligands to two variants of the octa-acid deep-cavity host in the SAMPL6 blind-test challenge (with or without endo methyl groups on the four upper-rim benzoate groups, OAM and OAH, respectively). We employed free-energy perturbation (FEP) for relative binding energies at the molecular mechanics (MM) and the combined quantum mecha

Mammografi: Screening, utredning och personcentrerad vård i bröstcancerdiagnostiken 21hp (A)

Uppdragsutbildning. Distanskurs. Medicinska fakulteten vid Lunds universitet erbjuder en utbildning för röntgensjuksköterskor och sjuksköterskor som vill arbeta i verksamheter för bröstcancerdiagnostik och/eller fördjupa sina kunskaper inom området. Kursen omfattar 21 hp och sträcker sig över 14 veckor heltidsstudier. I kursen varvas teori med verksamhetsförlagd utbildning, varannan vecka, sammanl

https://www.medicin.lu.se/utbildning-pa-grund-och-avancerad-niva/uppdragsutbildning-inom-medicin-vard-och-halsa/kursutbud/mammografi-screening-utredning-och-personcentrerad-vard-i-brostcancerdiagnostiken-21hp - 2026-05-30

How to stop procrastinating and start generating text

4 March 2026 12:00 to 12:40 | Lecture/talk Join in when Hanna Glad from Academic Skills Services (ASKS) at LUSEM gives her best tips for getting words on the page. Do you find it hard to produce text for your assignments? Perhaps you feel that you haven’t read enough of the literature? Or maybe you have written a lot of text already, but there is this one section that you are struggling with? In t

https://www.lusem.lu.se/calendar/how-stop-procrastinating-and-start-generating-text - 2026-05-30

Semlor christereldh

NSONSO-20170218-A032-E1.pdf RepoRtage32 Norrländska Socialdemokraten Lördag 18 februari 2017 Experten: ”Semlan kommer fortsätta att utvecklas” nars kommer vi nog snart att sluta äta semlor. De flesta varianter är bara ploj och kommer att dö ut. Andra kommer kanske att ta initiativet så om 15–20 år så kommer kanske den normala sem- lan se annorlunda ut. –Detman säkert kan veta är att över tid så ko

https://www.ses.lu.se/sites/ses.lu.se/files/semlor_christereldh.pdf - 2026-05-30

Folder bukspott 2020

Sid 1Sid 5 Stöd cancerforskningen vid Lunds universitet Du kan enkelt stödja cancerforskningen i bukspottkörtel, lever, gallvägar och tolv- fingertarm vid Lunds universitet genom gåvor i valfri storlek. Bidrag betalas till bankgiro 830-6599. Använd gärna inbetalningstalongen som du finner i denna broschyr. Vi tar även tacksamt emot månatliga gåvor, minnesgåvor, högtidsgåvor, julgåvor och företagsg

https://www.medicin.lu.se/sites/medicin.lu.se/files/folder_bukspott_2020.pdf - 2026-05-30

Cancerforskningen går ständigt framåt

Cancerforskningen går ständigt framåt. Oftast handlar det inte om den stora coola medicinen som förändrar livet, utan om tålmodig och uthållig forskning som till slut räddar liv. De genetiska kartorna över cancerns olika överlevnadsstrategier blir mer omfattande och innebär nya skräddarsydda behandlingsformer.     För att cancer ska kunna uppstå, krävs att cellen genomgår ett antal mutationer och

https://www.medicin.lu.se/forskning/vad-forskar-du-om/cancerforskningen-gar-standigt-framat - 2026-05-30

Should patients with low-risk renal cell carcinoma be followed differently after nephron-sparing surgery vs radical nephrectomy?

Objective: To investigate whether pT1 renal cell carcinoma (RCC) should be followed differently after partial (PN) or radical nephrectomy (RN) based on a retrospective analysis of a multicentre database (RECUR). Subjects: A retrospective study was conducted in 3380 patients treated for nonmetastatic RCC between January 2006 and December 2011 across 15 centres from 10 countries, as part of the RECU

Time Is Not Everything : Spatial Segregation of Nests in Nocturnal and Diurnal Carpenter Bees

Evolutionary transitions to nocturnality in bees are rare and recent, occurring independently across several families, with activity ranging from crepuscular to strictly nocturnal. Although the “enemy-free” and “competition-free space” hypotheses are often suggested as drivers, these remain little explored in bees. In sympatric diurnal and nocturnal carpenter bees, we show that in addition to temp

Vad förklarar förändringen i nästa års utdelning? - En undersökning av kreditbetygets påverkan

Syfte: Det övergripande syftet med uppsatsen är att undersöka vad som förklarar förändringen i företags framtida utdelning. Mer specifikt ämnas undersöka om en förändring i kreditbetyg påverkar ett företags nästkommande års utdelning, samt om tidigare observerade samband och teorier håller på den europeiska marknaden. Metod: Denna kvantitativa studie har en explorativ inriktning med deduk-tiv anPurpose: The main purpose of this thesis is to examine what explains cor-porations’ future dividend change. More explicit this thesis in-tends to examine the effects of a change in credit rating as well as examine if previously observed relationships holds on the Euro-pean market. Methodology: This quantitative study has an explorative orientation with a de-ductive approach. Secondary cross-sect

A Site Selection of An Energy Island in the North Sea: Optimal Location in an Ecological and an Economic Scenario Using a Multicriteria Decision Analysis (MCDA)

Max Bengtsson A Site Selection of An Energy Island in the North Sea: Optimal Location in an Ecological and an Economic Scenario Using a Multicriteria Decision Analysis (MCDA). The Danish Government has decided to build an energy island, either as an artificial island in sand, concrete and steel or as a platform solution in the Danish exclusive economic zone (EEZ) of the North Sea. The idea of the

Redox-controlled reorganization and flavin strain within the ribonucleotide reductase R2b–NrdI complex monitored by serial femtosecond crystallography

Redox reactions are central to biochemistry and are both controlled by and induce protein structural changes. Here, we describe structural rearrangements and crosstalk within the Bacillus cereus ribonucleotide reductase R2b–NrdI complex, a di-metal carboxylate-flavoprotein system, as part of the mechanism generating the essential catalytic free radical of the enzyme. Femtosecond crystallography at

Effect of explicit water molecules on ligand-binding affinities calculated with the MM/GBSA approach.

We tested different approaches to including the effect of binding-site water molecules for ligand-binding affinities within the MM/GBSA approach (molecular mechanics combined with generalised Born and surface-area solvation). As a test case, we studied the binding of nine phenol analogues to ferritin. The effect of water molecules mediating the interaction between the receptor and the ligand can b

Precarious encampments in hostile border zones

Methods of inhabitation Wednesday December 6, 2023 14.00-15.00 CET (Stockholm, Berlin, Rome) Maria Hagan (University of Amsterdam) gives a presentation, followed by a discussion with Jennifer Mack (KTH Royal Institute of Technology), and questions from participants. William Kutz will be moderating the seminar. The webinar is free of charge, but you have to register to attend.Register at the bottom

https://www.cors.lu.se/en/precarious-encampments-hostile-border-zones - 2026-05-29

Conference hotel practical information 0

Conference factsheets Hotel you can rely on The Park Inn by Radisson Danube Bratislava hotel is a brand new facility in the heart of the historical city centre close to the Bratislava castle and next to the Danube river. Highly comfortable rooms, meeting spaces to host more than 400 delegates, wellness area and traditional Italian cuisine – all of it with the most beautiful views you can get in th

https://www.ses.lu.se/en/sites/ses.lu.se.en/files/conference_hotel_practical_information_0.pdf - 2026-05-30

Urbanize the Suburb

Iceland is an island located in the North Atlantic Ocean where the climate is cold and the weather can be unpredictable. The sun angle is low during winter, which gives minimum daylight. This darkness and strong winds affect the urban life in the capital city Reykjavík and controls how people commute and spend their free time. One of the main goals in the regional plan for the capital area is to

Habitat

Habitat w/Sirous Namazi Habitat Valbar kurs på BFA nivå/Optional BFA-level course Antal hp/Credits: 6 Lärare/Teacher: Sirous Namazi Tid/Time: 14–27.4, 10.00 – 16.00 .Undervisningsform/Form: Workshop, lectures, studio visits Språk/Language: Svenska och engelska/Swedish and English Antal studenter/Number of students: 8-10 Kursbeskrivning Habitat . Ett ord som anger en plats, en boplats, med gynnsamm

https://www.khm.lu.se/en/sites/khm.lu.se.en/files/habitat.docx - 2026-05-30

Integration of Aqueous Two-Phase Systems into Recovery Processes for Biomolecules

Popular Abstract in Swedish Människans kropp består av celler som byggs upp av komponenter som DNA, proteiner, lipider och polysackarider. I DNA finns den genetiska informationen lagrad som gör att kroppen kan fungera. Informationen i DNA omvandlas till proteiner som deltager i cellens biokemiska processer. DNA finns i olika former, dels genomiskt DNA och dels en mindre cirkulär form som kallas plThe main scope of this thesis has been to study and develop new purification methods and also to further develop existing methods for purification to enhance their efficacy. Important parameters in the development of the methods are that they should be suitable for scale-up and possible to be integrated into recovery processes. The studies in this thesis describe that a hydrophobic peptide tag ca

The Voice of the Patient

Allergic diseases, which constitute a global health problem, have been defined as one of the epidemics of the twenty-first century. Since there are no cures for allergic diseases today, the goal of treatment is to get the disease under control so that the patient can live a normal life with optimal chances of development. Patient-reported outcomes for control assessment have been a focus of attent

Hällristarnas hem - Gårdsbebyggelse och struktur i Pryssgården under bronsålder

Popular Abstract in Swedish Syftet med avhandlingen har varit att försöka förstå bronsålderns samhälle och ideologi utifrån bebyggelsens inneboende symbolik, utformning och struktur. I alla samhällen utgör hushållet den minsta sociala enheten. Huset och hushållen utgör centrum för människors liv. Hur människorna har valt att organisera sin tillvaro kan ha skett i en samverkan med den övergripande The purpose of this thesis is an attempt to comprehend the society and the ideology of the Bronze Age from the inherent symbolism, shape and structure of buildings. In every society, the smallest social unit is the household. The house and the household are central in the lives of people. They made their choices to organize their existence in a symbiotic cooperation with the general cosmology and