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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
In the past, basis sets for use in correlated molecular calculations have largely been taken from single configuration calculations. Recently, Almlöf, Taylor, and co-workers hav...
PD-1 and PD-L1 Immune Checkpoint Blockade to Treat Breast Cancer
Immune checkpoint inhibition represents a major recent breakthrough in the treatment of malignant diseases including breast cancer. Blocking the programmed death receptor-1 (PD-...
Clinical Characteristics of Coronavirus Disease 2019 in China
BACKGROUND: Since December 2019, when coronavirus disease 2019 (Covid-19) emerged in Wuhan city and rapidly spread throughout China, data have been needed on the clinical charac...
Rich Feature Hierarchies for Accurate Object Detection and Semantic Segmentation
Object detection performance, as measured on the canonical PASCAL VOC dataset, has plateaued in the last few years. The best-performing methods are complex ensemble systems that...
<i>Coot</i>: model-building tools for molecular graphics
CCP4mg is a project that aims to provide a general-purpose tool for structural biologists, providing tools for X-ray structure solution, structure comparison and analysis, and p...
Molecular dynamics with coupling to an external bath
In molecular dynamics (MD) simulations the need often arises to maintain such parameters as temperature or pressure rather than energy and volume, or to impose gradients for stu...
A Novel Coronavirus from Patients with Pneumonia in China, 2019
In December 2019, a cluster of patients with pneumonia of unknown cause was linked to a seafood wholesale market in Wuhan, China. A previously unknown betacoronavirus was discov...