Binding free energy calculations using alchemical (AFE) methods are widely considered to be the most rigorous tool in computational drug discovery arsenal. Despite this, suffer from accuracy, precision, and reproducibility issues. In this publication, we perform a high-throughput study of more than thousand AFE calculations, utilizing over 220 ?s total sampling time, on three different protein ...

The exploration of geological composition, e.g. underground flow path, is a significant step for oil and gas search. However, to extract the structural geological composition from the volume, neither the classic volume exploration methods, e.g. transfer function design, nor the traditional volume cut algorithms can be directly used due to its three natural properties, various compositions, disc...

The present study examined the processing of the Mandarin Chinese long-distance reflexive ziji to evaluate the role that syntactic structure plays in the memory retrieval operations that support sentence comprehension. Using the multiple-response speed-accuracy tradeoff (MR-SAT) paradigm, we measured the speed with which comprehenders retrieve an antecedent for ziji. Our experimental materials ...

A fructan exohydrolase selective for (2----1)-linked terminal fructosyl linkages, isolated from barley (Hordeum vulgare L. cv. Morex) stems and leaf sheaths, was used to elucidate the chemical structures of several oligomeric fructans extracted from liliaceous and graminaceous species. Products released by enzymic and mild acid hydrolysis were separated by reversed-phase high-performance liquid...