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Convergence criteria for single-step free-energy calculations : the relation between the Π bias measure and the sample variance

Free energy calculations play a crucial role in simulating chemical processes, enzymatic reactions, and drug design. However, assessing the reliability and convergence of these calculations remains a challenge. This study focuses on single-step free-energy calculations using thermodynamic perturbation. It explores how the sample distributions influence the estimated results and evaluates the relia

Nine new species of Horismenus Walker (Hymenoptera: Eulophidae) in Brazil, with an emphasis on the fauna of one of the largest tropical forests on the planet, the Atlantic Forest

Horismenus Walker (Hymenoptera: Eulophidae) is one of the largest genera in Eulophidae, and additional collecting in tropical America will undoubtedly add numerous new species. Here we describe nine new species of Horismenus from material collected in Brazil, mainly in Atlantic Forest remnants: H. amplicavus sp. nov., H. atlanticus sp. nov., H. bilineatus sp. nov., H. crastoensis sp. nov., H. nova

Remission and low disease activity are associated with lower healthcare costs : results from the Systemic Lupus International Collaborating Clinics (SLICC) inception cohort

Objectives: This study aims to determine the independent impact of definitions of remission/low disease activity (LDA) on direct/indirect costs (DCs, ICs) in a multicentre inception cohort. Methods: Patients from 31 centres in 10 countries were enrolled within 15 months of diagnosis and assessed annually. Five mutually exclusive disease activity states (DAS) were defined as (1) remission off-treat

The Eye of the Law and the Scales of Justice: Law and Art in the Scania and Blekinge Court of Appeal 1821-1917

The Scania and Blekinge Court of Appeal in southern Sweden was established by King Charles XIV John in 1821. The iconography used during its period in Kristianstad, until it moved to Malmö in 1917, provides an excellent example of ‘power in images’, highlighting the transition from neoclassicism to national romanticism and finally modernity.In the text, I discuss the choices of symbols that were m

An acceptability study of long-distance extractions in Swedish

The current study compares controlled acceptability judgments for Swedish relative clause extractions to extractions from that-clauses and extractions from non-restrictive relative clauses. It also compares each structure in both extracted and non-extracted form. The reported possibility of relative clause extraction in Swedish (and the other Mainland Scandinavian languages) has long presen