Publications

The Cambridge Structural Database

The Cambridge Structural Database (CSD) contains a complete record of all published organic and metal–organic small-molecule crystal structures. The database has been in operati...

Decision making with the analytic hierarchy process

Decisions involve many intangibles that need to be traded off. To do that, they have to be measured along side tangibles whose measurements must also be evaluated as to, how wel...

Finance and Growth: Schumpeter Might Be Right

Finance matters. The level of a country's financial development helps predict its rate of economic growth for the following 10 to 30 years. The data are consistent with...

Galactic Stellar and Substellar Initial Mass Function

We review recent determinations of the present day and initial mass functions in various components of the Galaxy, disk, spheroid, young and globular clusters. As a general feat...

Comparison of multiple Amber force fields and development of improved protein backbone parameters

Abstract The ff94 force field that is commonly associated with the Amber simulation package is one of the most widely used parameter sets for biomolecular simulation. After a de...

BioBERT: a pre-trained biomedical language representation model for biomedical text mining

Abstract Motivation Biomedical text mining is becoming increasingly important as the number of biomedical documents rapidly grows. With the progress in natural language processi...

New tools for automated high-resolution cryo-EM structure determination in RELION-3

Here, we describe the third major release of RELION. CPU-based vector acceleration has been added in addition to GPU support, which provides flexibility in use of resources and ...

g:Profiler: a web server for functional enrichment analysis and conversions of gene lists (2019 update)

Abstract Biological data analysis often deals with lists of genes arising from various studies. The g:Profiler toolset is widely used for finding biological categories enriched ...

The ARRIVE guidelines 2.0: Updated guidelines for reporting animal research

Reproducible science requires transparent reporting. The ARRIVE guidelines (Animal Research: Reporting of In Vivo Experiments) were originally developed in 2010 to improve the r...

Partial-symmetries of weak interactions

Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ₁ and χ₂ Dihedral Angles

While the quality of the current CHARMM22/CMAP additive force field for proteins has been demonstrated in a large number of applications, limitations in the model with respect t...

CSPNet: A New Backbone that can Enhance Learning Capability of CNN

Neural networks have enabled state-of-the-art approaches to achieve incredible results on computer vision tasks such as object detection. However, such success greatly relies on...