The Collaborative Computational Project No. 4 (CCP4) is a UK-led international collective
with a mission to develop, test, distribute and promote software for macromolecular …

The CCP4 (Collaborative Computational Project, Number 4) software suite for
macromolecular structure determination by X-ray crystallography groups brings together …

Covalent probes can display unmatched potency, selectivity, and duration of action;
however, their discovery is challenging. In principle, fragments that can irreversibly bind their …

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) macrodomain within
the nonstructural protein 3 counteracts host-mediated antiviral adenosine diphosphate …

Severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2), which causes coronavirus
disease 2019 (COVID-19), threatens global public health. The world needs rapid …

The steady expansion in the capacity of modern beamlines for high-throughput data
collection, enabled by increasing X-ray brightness, capacity of robotics and detector speeds …

Crystallography-based fragment screening is a highly effective technique employed in
structure-based drug discovery to expand the range of lead development opportunities. It …

Lens epithelium-derived growth factor p75 (LEDGF/p75), member of the hepatoma-derived
growth-factor-related protein (HRP) family, is a transcriptional co-activator and involved in …

Protein function hinges on small shifts of three-dimensional structure. Elevating temperature
or pressure may provide experimentally accessible insights into such shifts, but the effects of …

A novel crystallographic fragment screening data set was generated and used in the
SAMPL7 challenge for protein-ligands. The SAMPL challenges prospectively assess the …