Owing to the rapid developments to improve the accuracy and efficiency of both
experimental and computational investigative methodologies, the massive amounts of data …

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 …

As an orthogonal principle to the established (hetero) aryl halides, we herein highlight the
usefulness of CF2X (X= Cl, Br, or I) moieties. Using tool compounds bearing CF2X moieties …

Multiple studies have established associations between human gut bacteria and host
physiology, but determining the molecular mechanisms underlying these associations has …

The discovery of small-molecule inhibitors requires suitable binding pockets on protein
surfaces. Proteins that lack this feature are considered undruggable and require innovative …

Abstract COVID-19, caused by SARS-CoV-2, lacks effective therapeutics. Additionally, no
antiviral drugs or vaccines were developed against the closely related coronavirus, SARS …

Coot is a tool widely used for model building, refinement, and validation of macromolecular
structures. It has been extensively used for crystallography and, more recently …

Molecular glues are proximity-inducing small molecules that have emerged as an attractive
therapeutic approach. However, develo** molecular glues remains challenging, requiring …

SARS-CoV-2 is the causative agent of COVID-19. The main viral protease (M pro) is an
attractive target for antivirals. The clinically approved drug nirmatrelvir and the clinical …

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