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 prediction of RNA three‐dimensional structures remains an unsolved problem. Here, we
report assessments of RNA structure predictions in CASP15, the first CASP exercise that …

Two years on from the initial release of AlphaFold, we have seen its widespread adoption as
a structure prediction tool. Here, we discuss some of the latest work based on AlphaFold …

The conserved Ndc80 kinetochore complex, Ndc80c, is the principal link between mitotic
spindle microtubules and centromere-associated proteins. We used AlphaFold 2 (AF2) to …

Phosphatidylethanolamine N-methyltransferase (PmtA) catalyzes the biosynthesis of
phosphatidylcholine (PC) from phosphatidylethanolamine (PE). Although PC is one of the …

Bemnifosbuvir (AT-527) and AT-752 are guanosine analogues currently in clinical trials
against several RNA viruses. Here, we show that these drugs require a minimal set of 5 …

In late 2020, the results of CASP14, the 14th event in a series of competitions to assess the
latest developments in computational protein structure-prediction methodology, revealed the …

Serial femtosecond crystallography was initially developed for room-temperature X-ray
diffraction studies of macromolecules at X-ray free electron lasers. When combined with …

Structure predictions have matched the accuracy of experimental structures from close
homologues, providing suitable models for molecular replacement phasing. Even in …

A series of novel 2-arylmethoxy-4-(2-fluoromethyl-biphenyl-3-ylmethoxy) benzylamine
derivatives was designed, synthesized, and evaluated for their antitumor effects as PD-1/PD …