Publications
Explore 703 academic publications
The Amber biomolecular simulation programs
Abstract We describe the development, current features, and some directions for future development of the Amber package of computer programs. This package evolved from a program...
COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient
Starting from the screening in conductors, an algorithm for the accurate calculation of dielectric screening effects in solvents is presented, which leads to rather simple expli...
Heart Disease and Stroke Statistics—2020 Update: A Report From the American Heart Association
Background: The American Heart Association, in conjunction with the National Institutes of Health, annually reports on the most up-to-date statistics related to heart disease, s...
Novel methods improve prediction of species’ distributions from occurrence data
Prediction of species’ distributions is central to diverse applications in ecology, evolution and conservation science. There is increasing electronic access to vast sets of occ...
The UK Biobank resource with deep phenotyping and genomic data
Abstract The UK Biobank project is a prospective cohort study with deep genetic and phenotypic data collected on approximately 500,000 individuals from across the United Kingdom...
Accurate structure prediction of biomolecular interactions with AlphaFold 3
Abstract The introduction of AlphaFold 2 1 has spurred a revolution in modelling the structure of proteins and their interactions, enabling a huge range of applications in prote...
ColabFold: making protein folding accessible to all
Abstract ColabFold offers accelerated prediction of protein structures and complexes by combining the fast homology search of MMseqs2 with AlphaFold2 or RoseTTAFold. ColabFold’s...
Risk Factors Associated With Acute Respiratory Distress Syndrome and Death in Patients With Coronavirus Disease 2019 Pneumonia in Wuhan, China
Older age was associated with greater risk of development of ARDS and death likely owing to less rigorous immune response. Although high fever was associated with the developmen...
Epidemiology of severe sepsis in the United States: Analysis of incidence, outcome, and associated costs of care
Severe sepsis is a common, expensive, and frequently fatal condition, with as many deaths annually as those from acute myocardial infarction. It is especially common in the elde...
Exploring the Limits of Transfer Learning with a Unified Text-to-Text\n Transformer
Transfer learning, where a model is first pre-trained on a data-rich task\nbefore being fine-tuned on a downstream task, has emerged as a powerful\ntechnique in natural language...