TURBOMOLE is a collaborative, multi-national software development project aiming to
provide highly efficient and stable computational tools for quantum chemical simulations of …

The commercially used synthetic pesticides have been proven to be toxic not only to
humans and other animals, but also to non-target plant, the surrounding organisms around …

B cell maturation antigen (BCMA) target loss is considered to be a rare event that mediates
multiple myeloma (MM) resistance to anti-BCMA chimeric antigen receptor T cell (CAR T) or …

The electrochemical stability window of the electrolyte solution limits the energy content of
non-aqueous lithium metal batteries. In particular, although electrolytes comprising …

The inner Helmholtz plane and thus derived solid-electrolyte interphase (SEI) are crucial
interfacial structure to determine the electrochemical stability of Zn-ion battery (ZIB). In this …

The coarse-grained Martini force field is widely used in biomolecular simulations. Here we
present the refined model, Martini 3 (http://cgmartini. nl), with an improved interaction …

High-performance pervaporation membranes have potential in industrial separation
applications, but overcoming the permeability-selectivity trade-off is a challenge. We report a …

The oral protease inhibitor nirmatrelvir is of key importance for prevention of severe
coronavirus disease 2019 (COVID-19). To facilitate resistance monitoring, we studied …

Alzheimer's disease (AD) is the consequence of neuronal death and brain atrophy
associated with the aggregation of protein tau into fibrils. Thus disaggregation of tau fibrils …

The oceans offer a virtually infinite source of uranium and could sustain nuclear power
technology in terms of fuel supply. However, the current processes to extract uranium from …